4-methoxy-3-(propylcarbamoylamino)benzoic acid

C12H16N2O4 — CID 63744455

IUPAC4-methoxy-3-(propylcarbamoylamino)benzoic acid
SMILESCCCNC(=O)Nc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C12H16N2O4/c1-3-6-13-12(17)14-9-7-8(11(15)16)4-5-10(9)18-2/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyNOVVLYXWRSIDEM-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.92
Rot. Bonds5

About 4-methoxy-3-(propylcarbamoylamino)benzoic acid

4-methoxy-3-(propylcarbamoylamino)benzoic acid (PubChem CID 63744455) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methoxy-3-(propylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(propylcarbamoylamino)benzoic acid
PubChem CID63744455
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-methoxy-3-(propylcarbamoylamino)benzoic acid
SMILESCCCNC(=O)Nc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C12H16N2O4/c1-3-6-13-12(17)14-9-7-8(11(15)16)4-5-10(9)18-2/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyNOVVLYXWRSIDEM-UHFFFAOYSA-N
XLogP1.92
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-(propylcarbamoylamino)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

4-methoxy-3-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 63742611
4-methoxy-3-(propylcarbamothioylamino)benzoic acid
CID 100555293
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-4-methoxybenzoic acid
CID 63744645
4-methoxy-3-(prop-2-enylcarbamoylamino)benzoic acid
CID 63742260
3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
3-methyl-4-(propylcarbamoylamino)benzoic acid
CID 28785867
4-methoxy-3-[(3-methoxy-2-methylpropyl)carbamoylamino]benzoic acid
CID 63744816
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzoic acid
CID 107145552
4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
CID 106421198

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propylcarbamoylamino)benzoic acid?
The IUPAC name of 4-methoxy-3-(propylcarbamoylamino)benzoic acid (CID 63744455) is 4-methoxy-3-(propylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(propylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-methoxy-3-(propylcarbamoylamino)benzoic acid is CCCNC(=O)Nc1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-(propylcarbamoylamino)benzoic acid?
The InChIKey is NOVVLYXWRSIDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-6-13-12(17)14-9-7-8(11(15)16)4-5-10(9)18-2/h4-5,7H,3,6H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-methoxy-3-(propylcarbamoylamino)benzoic acid?
4-methoxy-3-(propylcarbamoylamino)benzoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propylcarbamoylamino)benzoic acid is sourced from PubChem (CID 63744455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).