3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid

C20H22ClNO5 — CID 45461561

IUPAC3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid
SMILESCCCOc1c(Cl)cc(C(=O)NC(CC(=O)O)c2ccccc2)cc1OC
InChIInChI=1S/C20H22ClNO5/c1-3-9-27-19-15(21)10-14(11-17(19)26-2)20(25)22-16(12-18(23)24)13-7-5-4-6-8-13/h4-8,10-11,16H,3,9,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUWZZADRYICBQLM-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.08
Rot. Bonds9

About 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid

3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 45461561) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid
PubChem CID45461561
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Name3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid
SMILESCCCOc1c(Cl)cc(C(=O)NC(CC(=O)O)c2ccccc2)cc1OC
InChIInChI=1S/C20H22ClNO5/c1-3-9-27-19-15(21)10-14(11-17(19)26-2)20(25)22-16(12-18(23)24)13-7-5-4-6-8-13/h4-8,10-11,16H,3,9,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUWZZADRYICBQLM-UHFFFAOYSA-N
XLogP4.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic 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

3-(4-propoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 4182201
N-[3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55891488
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 51308756
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 86978352
3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4190293
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
ethyl (2R,3R)-2-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-methylpentanoate
CID 95782335
(3S)-3-benzamido-3-(4-propoxyphenyl)propanoic acid
CID 7044624
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid (CID 45461561) is 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid is CCCOc1c(Cl)cc(C(=O)NC(CC(=O)O)c2ccccc2)cc1OC.
What is the InChIKey of 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is UWZZADRYICBQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-3-9-27-19-15(21)10-14(11-17(19)26-2)20(25)22-16(12-18(23)24)13-7-5-4-6-8-13/h4-8,10-11,16H,3,9,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid?
3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 391.85 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 45461561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).