benzyl N-(2-carbamoylcyclohexyl)carbamate

C15H20N2O3 — CID 72740883

IUPACbenzyl N-(2-carbamoylcyclohexyl)carbamate
SMILESNC(=O)C1CCCCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c16-14(18)12-8-4-5-9-13(12)17-15(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H2,16,18)(H,17,19)
InChIKeyNAFBSKQLMMQWBH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.96
Rot. Bonds4

About benzyl N-(2-carbamoylcyclohexyl)carbamate

benzyl N-(2-carbamoylcyclohexyl)carbamate (PubChem CID 72740883) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is benzyl N-(2-carbamoylcyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-carbamoylcyclohexyl)carbamate
PubChem CID72740883
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namebenzyl N-(2-carbamoylcyclohexyl)carbamate
SMILESNC(=O)C1CCCCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H20N2O3/c16-14(18)12-8-4-5-9-13(12)17-15(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H2,16,18)(H,17,19)
InChIKeyNAFBSKQLMMQWBH-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

cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385
benzyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701403
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
ethyl (1R,2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 10245512
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-carbamoylcyclohexyl)carbamate?
The IUPAC name of benzyl N-(2-carbamoylcyclohexyl)carbamate (CID 72740883) is benzyl N-(2-carbamoylcyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(2-carbamoylcyclohexyl)carbamate?
The canonical SMILES for benzyl N-(2-carbamoylcyclohexyl)carbamate is NC(=O)C1CCCCC1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-carbamoylcyclohexyl)carbamate?
The InChIKey is NAFBSKQLMMQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-14(18)12-8-4-5-9-13(12)17-15(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H2,16,18)(H,17,19).
What are the key properties of benzyl N-(2-carbamoylcyclohexyl)carbamate?
benzyl N-(2-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-(2-carbamoylcyclohexyl)carbamate is sourced from PubChem (CID 72740883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).