[2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate

C16H21NO3 — CID 14033056

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate
SMILESCN(C(=O)COC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21NO3/c1-17(14-10-6-3-7-11-14)15(18)12-20-16(19)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3
InChIKeyPDIJPBODFJXKMS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.63
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate (PubChem CID 14033056) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate
PubChem CID14033056
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate
SMILESCN(C(=O)COC(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21NO3/c1-17(14-10-6-3-7-11-14)15(18)12-20-16(19)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3
InChIKeyPDIJPBODFJXKMS-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate 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-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate (CID 14033056) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate is CN(C(=O)COC(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate?
The InChIKey is PDIJPBODFJXKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(14-10-6-3-7-11-14)15(18)12-20-16(19)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate has a molecular weight of 275.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 14033056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).