[2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate

C16H21NO3 — CID 646446

IUPAC[2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-12(18)20-15(13-8-4-2-5-9-13)16(19)17-14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyAWNIGLBWXISXRV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.74
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate

[2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate (PubChem CID 646446) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate
PubChem CID646446
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-12(18)20-15(13-8-4-2-5-9-13)16(19)17-14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyAWNIGLBWXISXRV-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(cyclohexylamino)-2-oxo-1-phenylethyl] 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 [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate (CID 646446) is [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate?
The InChIKey is AWNIGLBWXISXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(18)20-15(13-8-4-2-5-9-13)16(19)17-14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,3,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate?
[2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate has a molecular weight of 275.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 646446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).