4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid

C24H31NO4 — CID 142994765

IUPAC4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid
SMILESCCCC(CC)CCC(=O)N(Cc1ccc(C)cc1)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C24H31NO4/c1-4-6-18(5-2)11-14-23(27)25(16-19-9-7-17(3)8-10-19)20-12-13-21(24(28)29)22(26)15-20/h7-10,12-13,15,18,26H,4-6,11,14,16H2,1-3H3,(H,28,29)
InChIKeyCWYQDPVPRZZZHD-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.54
Rot. Bonds10

About 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid

4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid (PubChem CID 142994765) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid
PubChem CID142994765
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid
SMILESCCCC(CC)CCC(=O)N(Cc1ccc(C)cc1)c1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C24H31NO4/c1-4-6-18(5-2)11-14-23(27)25(16-19-9-7-17(3)8-10-19)20-12-13-21(24(28)29)22(26)15-20/h7-10,12-13,15,18,26H,4-6,11,14,16H2,1-3H3,(H,28,29)
InChIKeyCWYQDPVPRZZZHD-UHFFFAOYSA-N
XLogP5.54
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(4-butylphenyl)phenyl]methyl-(3,3-dimethylbutanoyl)amino]-2-hydroxybenzoic acid
CID 70973651
4-[[4-[4-(4-ethanimidoylphenyl)phenyl]phenyl]methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-2-hydroxybenzoic acid
CID 123219716
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
4-[(4-cyclohexylphenyl)methyl-[2-[(4-methylphenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]amino]-2-hydroxybenzoic acid
CID 73334681
4-[(4-cyclohexylphenyl)methyl-[2-[(4-isocyanophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-2-hydroxybenzoic acid
CID 123284111
5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(7-carboxyheptanoyl)amino]-2-hydroxybenzoic acid
CID 11341912
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoic acid
CID 159323400
4-[[2-[(4-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]-(naphthalen-2-ylmethyl)amino]-2-hydroxybenzoic acid
CID 118554144
ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
CID 145203938
4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]-[(4-cyclohexylphenyl)methyl]amino]-2-hydroxybenzoic acid
CID 56680466

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid (CID 142994765) is 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid is CCCC(CC)CCC(=O)N(Cc1ccc(C)cc1)c1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid?
The InChIKey is CWYQDPVPRZZZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-6-18(5-2)11-14-23(27)25(16-19-9-7-17(3)8-10-19)20-12-13-21(24(28)29)22(26)15-20/h7-10,12-13,15,18,26H,4-6,11,14,16H2,1-3H3,(H,28,29).
What are the key properties of 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid?
4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid has a molecular weight of 397.52 g/mol, XLogP of 5.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethylheptanoyl-[(4-methylphenyl)methyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 142994765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).