Compound C26H29NO3

2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid

CAS: 50741-83-8

Molecular Formula	`C26H29NO3`
Molecular Weight	403.5 g/mol
LogP	6.0
Topological Polar Surface Area	66.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	403.21475
Heavy Atoms	30
Complexity	688.0

Chemical Identifiers

CAS Number	50741-83-8
SMILES	`CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC=C5C(=O)O)C`
InChIKey	`DTADCQZFUVPRNG-UHFFFAOYSA-N`

📖 Product Overview

Compound C26H29NO3 (CAS: 50741-83-8) is a chemical compound with molecular formula C26H29NO3 and molecular weight 403.5 g/mol. Its IUPAC systematic name is 2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid. LogP 6.0 Topological Polar Surface Area 66.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 403.21475 Heavy Atoms 30 Complexity 688.0 InChI Key: DTADCQZFUVPRNG-UHFFFAOYSA-N. SMILES: CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC=C5C(=O)O)C.

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