4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid

C17H17NO5 — CID 43905180

IUPAC4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
SMILESCOc1cccc(OC(C)C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO5/c1-11(23-15-5-3-4-14(10-15)22-2)16(19)18-13-8-6-12(7-9-13)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyURKNHEPRMWIZOI-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.80
Rot. Bonds6

About 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid

4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid (PubChem CID 43905180) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
PubChem CID43905180
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
SMILESCOc1cccc(OC(C)C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C17H17NO5/c1-11(23-15-5-3-4-14(10-15)22-2)16(19)18-13-8-6-12(7-9-13)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)
InChIKeyURKNHEPRMWIZOI-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3-methoxyphenoxy)propanoylamino]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

methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887
N-(4-acetylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203966
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
N-(4-chlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203909
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
2-(3-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 19203878
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid?
The IUPAC name of 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid (CID 43905180) is 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid.
What is the SMILES notation for 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid?
The canonical SMILES for 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid is COc1cccc(OC(C)C(=O)Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid?
The InChIKey is URKNHEPRMWIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-11(23-15-5-3-4-14(10-15)22-2)16(19)18-13-8-6-12(7-9-13)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid?
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid is sourced from PubChem (CID 43905180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).