benzyl N-(4-propylcyclohexyl)carbamate

C17H25NO2 — CID 130580975

IUPACbenzyl N-(4-propylcyclohexyl)carbamate
SMILESCCCC1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-6-14-9-11-16(12-10-14)18-17(19)20-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3,(H,18,19)
InChIKeyVWWRXOQFCQSAIP-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.27
Rot. Bonds5

About benzyl N-(4-propylcyclohexyl)carbamate

benzyl N-(4-propylcyclohexyl)carbamate (PubChem CID 130580975) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is benzyl N-(4-propylcyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-propylcyclohexyl)carbamate
PubChem CID130580975
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namebenzyl N-(4-propylcyclohexyl)carbamate
SMILESCCCC1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-6-14-9-11-16(12-10-14)18-17(19)20-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3,(H,18,19)
InChIKeyVWWRXOQFCQSAIP-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
1-(phenylmethoxycarbonylamino)-4-propylcyclohexane-1-carboxylic acid
CID 103663689
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-[4-(3-oxoprop-2-enyl)cyclohexyl]carbamate
CID 87766641
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine
CID 157386360
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-propylcyclohexyl)carbamate?
The IUPAC name of benzyl N-(4-propylcyclohexyl)carbamate (CID 130580975) is benzyl N-(4-propylcyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(4-propylcyclohexyl)carbamate?
The canonical SMILES for benzyl N-(4-propylcyclohexyl)carbamate is CCCC1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-(4-propylcyclohexyl)carbamate?
The InChIKey is VWWRXOQFCQSAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-6-14-9-11-16(12-10-14)18-17(19)20-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3,(H,18,19).
What are the key properties of benzyl N-(4-propylcyclohexyl)carbamate?
benzyl N-(4-propylcyclohexyl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-propylcyclohexyl)carbamate is sourced from PubChem (CID 130580975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).