[(2-acetylcyclohexyl)-phenylmethyl] carbamate

C16H21NO3 — CID 151696114

IUPAC[(2-acetylcyclohexyl)-phenylmethyl] carbamate
SMILESCC(=O)C1CCCCC1C(OC(N)=O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11(18)13-9-5-6-10-14(13)15(20-16(17)19)12-7-3-2-4-8-12/h2-4,7-8,13-15H,5-6,9-10H2,1H3,(H2,17,19)
InChIKeyRDOYYRCXYTTYFZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.22
Rot. Bonds4

About [(2-acetylcyclohexyl)-phenylmethyl] carbamate

[(2-acetylcyclohexyl)-phenylmethyl] carbamate (PubChem CID 151696114) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [(2-acetylcyclohexyl)-phenylmethyl] carbamate.

Molecular Properties

Compound Name[(2-acetylcyclohexyl)-phenylmethyl] carbamate
PubChem CID151696114
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[(2-acetylcyclohexyl)-phenylmethyl] carbamate
SMILESCC(=O)C1CCCCC1C(OC(N)=O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11(18)13-9-5-6-10-14(13)15(20-16(17)19)12-7-3-2-4-8-12/h2-4,7-8,13-15H,5-6,9-10H2,1H3,(H2,17,19)
InChIKeyRDOYYRCXYTTYFZ-UHFFFAOYSA-N
XLogP3.22
TPSA69.39 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2-acetylcyclohexyl)-phenylmethyl] carbamate with MolForge

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

Launch Full Analysis

Related Compounds

[(R)-[(1R,2S)-2-chlorocyclohexyl]-phenylmethyl] acetate
CID 11879476
[(R)-[(1S,2R)-2-chlorocyclohexyl]-phenylmethyl] acetate
CID 6543196
[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate
CID 175222339
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
[phenyl-(2-phenylcyclopropyl)methyl] acetate
CID 13252851
[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
[amino(phenyl)methyl] carbamate
CID 66688538
[[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate
CID 174664510
1-O-benzyl 2-O-(3-hydroxybutan-2-yl) cyclohexane-1,2-dicarboxylate
CID 129196193
[(S)-[(1R,2S)-2-[(2S)-1,2-dihydroxypropan-2-yl]cyclopropyl]-phenylmethyl] acetate
CID 11807544
1-(2-ethylcyclohexyl)-2-phenylpropan-1-one
CID 114029031
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593

Frequently Asked Questions

What is the IUPAC name of [(2-acetylcyclohexyl)-phenylmethyl] carbamate?
The IUPAC name of [(2-acetylcyclohexyl)-phenylmethyl] carbamate (CID 151696114) is [(2-acetylcyclohexyl)-phenylmethyl] carbamate.
What is the SMILES notation for [(2-acetylcyclohexyl)-phenylmethyl] carbamate?
The canonical SMILES for [(2-acetylcyclohexyl)-phenylmethyl] carbamate is CC(=O)C1CCCCC1C(OC(N)=O)c1ccccc1.
What is the InChIKey of [(2-acetylcyclohexyl)-phenylmethyl] carbamate?
The InChIKey is RDOYYRCXYTTYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(18)13-9-5-6-10-14(13)15(20-16(17)19)12-7-3-2-4-8-12/h2-4,7-8,13-15H,5-6,9-10H2,1H3,(H2,17,19).
What are the key properties of [(2-acetylcyclohexyl)-phenylmethyl] carbamate?
[(2-acetylcyclohexyl)-phenylmethyl] carbamate has a molecular weight of 275.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-acetylcyclohexyl)-phenylmethyl] carbamate is sourced from PubChem (CID 151696114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).