5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid

C15H16N2O4 — CID 62306705

IUPAC5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1ccc(C(N)=O)c(NCc2cc(C(=O)O)c(C)o2)c1
InChIInChI=1S/C15H16N2O4/c1-8-3-4-11(14(16)18)13(5-8)17-7-10-6-12(15(19)20)9(2)21-10/h3-6,17H,7H2,1-2H3,(H2,16,18)(H,19,20)
InChIKeyKKUJDYPNMJOMFO-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.31
Rot. Bonds5

About 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid

5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 62306705) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID62306705
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1ccc(C(N)=O)c(NCc2cc(C(=O)O)c(C)o2)c1
InChIInChI=1S/C15H16N2O4/c1-8-3-4-11(14(16)18)13(5-8)17-7-10-6-12(15(19)20)9(2)21-10/h3-6,17H,7H2,1-2H3,(H2,16,18)(H,19,20)
InChIKeyKKUJDYPNMJOMFO-UHFFFAOYSA-N
XLogP2.31
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic 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

5-[(2-methoxy-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103233707
5-[(4-carbamoyl-3-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 81261708
2-methyl-5-[(2,4,5-trifluoroanilino)methyl]furan-3-carboxylic acid
CID 103249556
5-[(5-chloro-2-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103237912
2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 114989475
2-methyl-5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]furan-3-carboxylic acid
CID 78980675
5-[(2,6-dibromo-4-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103236805
5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103235795
5-[[(3-amino-3-oxopropyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103238811
methyl 5-[(2-chloro-4-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 37477190
5-[(2-chloro-4-cyanoanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 63094624
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805

Frequently Asked Questions

What is the IUPAC name of 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid (CID 62306705) is 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid is Cc1ccc(C(N)=O)c(NCc2cc(C(=O)O)c(C)o2)c1.
What is the InChIKey of 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is KKUJDYPNMJOMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8-3-4-11(14(16)18)13(5-8)17-7-10-6-12(15(19)20)9(2)21-10/h3-6,17H,7H2,1-2H3,(H2,16,18)(H,19,20).
What are the key properties of 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-carbamoyl-5-methylanilino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 62306705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).