4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid

C18H19NO5 — CID 45347542

IUPAC4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
SMILESCOc1cccc(C(=O)NCCc2ccc(C(=O)O)cc2)c1OC
InChIInChI=1S/C18H19NO5/c1-23-15-5-3-4-14(16(15)24-2)17(20)19-11-10-12-6-8-13(9-7-12)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXQFIIYWCRARULB-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.37
Rot. Bonds7

About 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid

4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid (PubChem CID 45347542) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
PubChem CID45347542
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
SMILESCOc1cccc(C(=O)NCCc2ccc(C(=O)O)cc2)c1OC
InChIInChI=1S/C18H19NO5/c1-23-15-5-3-4-14(16(15)24-2)17(20)19-11-10-12-6-8-13(9-7-12)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXQFIIYWCRARULB-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

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Related Compounds

2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid
CID 119255472
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 16889313
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347543
2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434413
2-[4-[2-[(2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453032
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid (CID 45347542) is 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid is COc1cccc(C(=O)NCCc2ccc(C(=O)O)cc2)c1OC.
What is the InChIKey of 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid?
The InChIKey is XQFIIYWCRARULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-15-5-3-4-14(16(15)24-2)17(20)19-11-10-12-6-8-13(9-7-12)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid?
4-[2-[(2,3-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-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 45347542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).