benzyl N-(4-carbamoylcyclohexyl)carbamate

C15H20N2O3 — CID 657544

IUPACbenzyl N-(4-carbamoylcyclohexyl)carbamate
SMILESNC(=O)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H20N2O3/c16-14(18)12-6-8-13(9-7-12)17-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,16,18)(H,17,19)
InChIKeyUPKLACXLVPIPPB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds4

About benzyl N-(4-carbamoylcyclohexyl)carbamate

benzyl N-(4-carbamoylcyclohexyl)carbamate (PubChem CID 657544) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl N-(4-carbamoylcyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-carbamoylcyclohexyl)carbamate
PubChem CID657544
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl N-(4-carbamoylcyclohexyl)carbamate
SMILESNC(=O)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H20N2O3/c16-14(18)12-6-8-13(9-7-12)17-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,16,18)(H,17,19)
InChIKeyUPKLACXLVPIPPB-UHFFFAOYSA-N
XLogP1.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
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4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid
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Benzyloxycarbonyl-leucyl-leucyl-norleucinal
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(S)-benzyl 1-(2-cyano-1-methyl-2-pentylhydrazinyl)-1-oxo-3-phenylpropan-2-ylcarbamate
CID 24898025
(S)-benzyl 1-(2-cyano-1,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-ylcarbamate
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Z-FA-Fmk
CID 5311161

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-carbamoylcyclohexyl)carbamate?
The IUPAC name of benzyl N-(4-carbamoylcyclohexyl)carbamate (CID 657544) is benzyl N-(4-carbamoylcyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(4-carbamoylcyclohexyl)carbamate?
The canonical SMILES for benzyl N-(4-carbamoylcyclohexyl)carbamate is NC(=O)C1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-(4-carbamoylcyclohexyl)carbamate?
The InChIKey is UPKLACXLVPIPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-14(18)12-6-8-13(9-7-12)17-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,16,18)(H,17,19).
What are the key properties of benzyl N-(4-carbamoylcyclohexyl)carbamate?
benzyl N-(4-carbamoylcyclohexyl)carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-carbamoylcyclohexyl)carbamate is sourced from PubChem (CID 657544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).