3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid

C15H16N2O4 — CID 61197373

IUPAC3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)NC(C)c1ccco1
InChIInChI=1S/C15H16N2O4/c1-9-5-6-11(14(18)19)8-12(9)17-15(20)16-10(2)13-4-3-7-21-13/h3-8,10H,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyYQMRPXAVUNPDPT-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.17
Rot. Bonds4

About 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid

3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid (PubChem CID 61197373) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid
PubChem CID61197373
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)NC(C)c1ccco1
InChIInChI=1S/C15H16N2O4/c1-9-5-6-11(14(18)19)8-12(9)17-15(20)16-10(2)13-4-3-7-21-13/h3-8,10H,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyYQMRPXAVUNPDPT-UHFFFAOYSA-N
XLogP3.17
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic 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-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61199818
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61197379
3-[[1-(furan-2-yl)ethylcarbamoylamino]methyl]benzoic acid
CID 61199837
methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 8919600
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
3-chloro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 55182379
3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-methylbenzoic acid
CID 65048714
3-[(3-carboxy-2-methylbutanoyl)amino]-4-methylbenzoic acid
CID 103497242

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid?
The IUPAC name of 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid (CID 61197373) is 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid?
The canonical SMILES for 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)NC(C)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid?
The InChIKey is YQMRPXAVUNPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-5-6-11(14(18)19)8-12(9)17-15(20)16-10(2)13-4-3-7-21-13/h3-8,10H,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid?
3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid has a molecular weight of 288.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid is sourced from PubChem (CID 61197373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).