4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid

C15H20N2O4 — CID 66248181

IUPAC4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCc1ccc(NC(=O)NC2COCC2(C)C(=O)O)c(C)c1
InChIInChI=1S/C15H20N2O4/c1-9-4-5-11(10(2)6-9)16-14(20)17-12-7-21-8-15(12,3)13(18)19/h4-6,12H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyGEKNTEBAGYMBFU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.91
Rot. Bonds3

About 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid

4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248181) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248181
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCc1ccc(NC(=O)NC2COCC2(C)C(=O)O)c(C)c1
InChIInChI=1S/C15H20N2O4/c1-9-4-5-11(10(2)6-9)16-14(20)17-12-7-21-8-15(12,3)13(18)19/h4-6,12H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyGEKNTEBAGYMBFU-UHFFFAOYSA-N
XLogP1.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66251119
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
3-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 66250154
3-methyl-4-[(4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66248133
4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid
CID 66250103
3-methyl-4-[3-(4-methylphenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66255665
4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66255664
2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
4-[(3-chloro-5-methylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 81323538
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254723
4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248963
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid (CID 66248181) is 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid is Cc1ccc(NC(=O)NC2COCC2(C)C(=O)O)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is GEKNTEBAGYMBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-4-5-11(10(2)6-9)16-14(20)17-12-7-21-8-15(12,3)13(18)19/h4-6,12H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).