4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid

C18H19NO5 — CID 45347543

IUPAC4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
SMILESCOc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C18H19NO5/c1-23-14-7-8-15(16(11-14)24-2)17(20)19-10-9-12-3-5-13(6-4-12)18(21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyCEYAEXOWPCZRCV-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.37
Rot. Bonds7

About 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid

4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid (PubChem CID 45347543) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
PubChem CID45347543
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
SMILESCOc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C18H19NO5/c1-23-14-7-8-15(16(11-14)24-2)17(20)19-10-9-12-3-5-13(6-4-12)18(21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyCEYAEXOWPCZRCV-UHFFFAOYSA-N
XLogP2.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic 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

2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542
4-[3-[2-(2,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182295
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid (CID 45347543) is 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid is COc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)c(OC)c1.
What is the InChIKey of 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid?
The InChIKey is CEYAEXOWPCZRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-14-7-8-15(16(11-14)24-2)17(20)19-10-9-12-3-5-13(6-4-12)18(21)22/h3-8,11H,9-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid?
4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid has a molecular weight of 329.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 45347543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).