3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid

C14H18N2O4 — CID 82742596

IUPAC3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)N(C)C1CCOC1
InChIInChI=1S/C14H18N2O4/c1-9-7-10(13(17)18)3-4-12(9)15-14(19)16(2)11-5-6-20-8-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYTXAXANUDKFLMV-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.95
Rot. Bonds3

About 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid

3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid (PubChem CID 82742596) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
PubChem CID82742596
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)N(C)C1CCOC1
InChIInChI=1S/C14H18N2O4/c1-9-7-10(13(17)18)3-4-12(9)15-14(19)16(2)11-5-6-20-8-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyYTXAXANUDKFLMV-UHFFFAOYSA-N
XLogP1.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]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-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
4-fluoro-3-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 61203150
3-(2,4-dimethyl-5-nitrophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 86794422
3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
CID 82742039
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
3-(3-bromo-4-pyridinyl)-1-methyl-1-(oxolan-3-yl)urea
CID 154752262
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
4-(1,4-dioxan-2-ylmethylcarbamoylamino)-3-methylbenzoic acid
CID 61209023
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid (CID 82742596) is 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)N(C)C1CCOC1.
What is the InChIKey of 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid?
The InChIKey is YTXAXANUDKFLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-7-10(13(17)18)3-4-12(9)15-14(19)16(2)11-5-6-20-8-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid?
3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 82742596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).