Ethyl 3-[cyclohexyl(phenylcarbamoyl)amino]propanoate

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Basic information

CAS: 6640-07-9
Standard SMILES: CCOC(=O)CCN(C(=O)Nc1ccccc1)C1CCCCC1
InChIKey: BRQJARCKAHLTRH-UHFFFAOYSA-N
Molecular formula: C18H26N2O3
Average molar mass: 318.4 g/mol
Monoisotopic mass: 318.1943427

Names & identifiers

Preferred name: Ethyl 3-[cyclohexyl(phenylcarbamoyl)amino]propanoate
IUPAC: ethyl 3-[cyclohexyl(phenylcarbamoyl)amino]propanoate

Names & synonyms

MLS0026672396640-07-9NSC49072CHEMBL1703338DTXSID90287126HMS3089O19NSC-49072AKOS016587566SMR001557008ethyl N-cyclohexyl-N-(phenylcarbamoyl)-beta-alaninate

Database identifiers

CAS: 6640-07-9
PubChem CID: 241565
DTXSID: DTXSID90287126
ChEMBL: CHEMBL1703338

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 374

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Compound notes

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