3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid

C14H14N2O4 — CID 61189153

IUPAC3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)NCc1ccco1
InChIInChI=1S/C14H14N2O4/c1-9-4-5-10(13(17)18)7-12(9)16-14(19)15-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPLCSKXOHJJVFLP-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.61
Rot. Bonds4

About 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid

3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid (PubChem CID 61189153) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
PubChem CID61189153
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)NCc1ccco1
InChIInChI=1S/C14H14N2O4/c1-9-4-5-10(13(17)18)7-12(9)16-14(19)15-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPLCSKXOHJJVFLP-UHFFFAOYSA-N
XLogP2.61
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(furan-2-ylmethylcarbamoylamino)-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-bromo-3-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 107813898
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid
CID 61197373
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402704
4-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 61187529
4-methyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)benzoic acid
CID 63825750
5-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 62074358
4-methyl-3-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618004
2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325057
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
CID 35338148
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylbenzoic acid
CID 61198572
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid?
The IUPAC name of 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid (CID 61189153) is 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid.
What is the SMILES notation for 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid?
The canonical SMILES for 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid?
The InChIKey is PLCSKXOHJJVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-4-5-10(13(17)18)7-12(9)16-14(19)15-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid?
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid is sourced from PubChem (CID 61189153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).