benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate

C17H23NO3 — CID 86589723

IUPACbenzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(CC=O)CC1
InChIInChI=1S/C17H23NO3/c1-18(16-9-7-14(8-10-16)11-12-19)17(20)21-13-15-5-3-2-4-6-15/h2-6,12,14,16H,7-11,13H2,1H3
InChIKeyYMAUCKAKXIAKOA-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.40
Rot. Bonds5

About benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate

benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate (PubChem CID 86589723) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
PubChem CID86589723
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namebenzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(CC=O)CC1
InChIInChI=1S/C17H23NO3/c1-18(16-9-7-14(8-10-16)11-12-19)17(20)21-13-15-5-3-2-4-6-15/h2-6,12,14,16H,7-11,13H2,1H3
InChIKeyYMAUCKAKXIAKOA-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
CID 163373377
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
CID 129231388
benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate
CID 146598505

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate (CID 86589723) is benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate is CN(C(=O)OCc1ccccc1)C1CCC(CC=O)CC1.
What is the InChIKey of benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate?
The InChIKey is YMAUCKAKXIAKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18(16-9-7-14(8-10-16)11-12-19)17(20)21-13-15-5-3-2-4-6-15/h2-6,12,14,16H,7-11,13H2,1H3.
What are the key properties of benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate?
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate has a molecular weight of 289.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate is sourced from PubChem (CID 86589723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).