[4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate

C18H19NO3 — CID 743749

IUPAC[4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate
SMILESCCN(C(=O)c1ccc(OC(C)=O)cc1)c1ccccc1C
InChIInChI=1S/C18H19NO3/c1-4-19(17-8-6-5-7-13(17)2)18(21)15-9-11-16(12-10-15)22-14(3)20/h5-12H,4H2,1-3H3
InChIKeyKMCQKCSZBAFWIU-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.59
Rot. Bonds4

About [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate

[4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate (PubChem CID 743749) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate
PubChem CID743749
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate
SMILESCCN(C(=O)c1ccc(OC(C)=O)cc1)c1ccccc1C
InChIInChI=1S/C18H19NO3/c1-4-19(17-8-6-5-7-13(17)2)18(21)15-9-11-16(12-10-15)22-14(3)20/h5-12H,4H2,1-3H3
InChIKeyKMCQKCSZBAFWIU-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate (CID 743749) is [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate is CCN(C(=O)c1ccc(OC(C)=O)cc1)c1ccccc1C.
What is the InChIKey of [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate?
The InChIKey is KMCQKCSZBAFWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-4-19(17-8-6-5-7-13(17)2)18(21)15-9-11-16(12-10-15)22-14(3)20/h5-12H,4H2,1-3H3.
What are the key properties of [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate?
[4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate has a molecular weight of 297.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl-(2-methylphenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 743749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).