4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid

C17H17NO5 — CID 2738551

IUPAC4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1OC
InChIInChI=1S/C17H17NO5/c1-22-14-8-3-11(9-15(14)23-2)10-16(19)18-13-6-4-12(5-7-13)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJQNQYXGOABBFCT-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.58
Rot. Bonds6

About 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid

4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid (PubChem CID 2738551) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
PubChem CID2738551
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1OC
InChIInChI=1S/C17H17NO5/c1-22-14-8-3-11(9-15(14)23-2)10-16(19)18-13-6-4-12(5-7-13)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJQNQYXGOABBFCT-UHFFFAOYSA-N
XLogP2.58
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108923308
4-[[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]amino]benzamide
CID 110767597
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110369690
tert-butyl N-[3-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919920
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
4-[4-[4-[[2-(4-ethoxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 143314079

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid (CID 2738551) is 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid is COc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)cc1OC.
What is the InChIKey of 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is JQNQYXGOABBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-22-14-8-3-11(9-15(14)23-2)10-16(19)18-13-6-4-12(5-7-13)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid?
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 2738551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).