4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid

C15H20N2O4 — CID 115293105

IUPAC4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCc1ccccc1N(C)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c1-11-5-3-4-6-12(11)17(2)14(20)16-15(13(18)19)7-9-21-10-8-15/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIPGWMUGUGJJOFM-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.77
Rot. Bonds3

About 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid

4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 115293105) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid
PubChem CID115293105
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCc1ccccc1N(C)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c1-11-5-3-4-6-12(11)17(2)14(20)16-15(13(18)19)7-9-21-10-8-15/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIPGWMUGUGJJOFM-UHFFFAOYSA-N
XLogP1.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-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

1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162694
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472
4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115292812
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
1-[methyl-(2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097503
4-[[cyclopropyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292842
4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292782
4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid
CID 114278637
N-methyl-N-(2-methylphenyl)morpholine-4-carboxamide
CID 116655392
4-[[methyl(oxolan-3-yl)carbamoyl]amino]oxane-4-carboxylic acid
CID 82742829
4-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]oxane-4-carboxylic acid
CID 97269346

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid (CID 115293105) is 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid is Cc1ccccc1N(C)C(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is IPGWMUGUGJJOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-5-3-4-6-12(11)17(2)14(20)16-15(13(18)19)7-9-21-10-8-15/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid?
4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).