4-cyclohexylbutyl N-cyclohexylcarbamate

C17H31NO2 — CID 22978793

IUPAC4-cyclohexylbutyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCCCC1CCCCC1
InChIInChI=1S/C17H31NO2/c19-17(18-16-12-5-2-6-13-16)20-14-8-7-11-15-9-3-1-4-10-15/h15-16H,1-14H2,(H,18,19)
InChIKeyMLWZPBFHICOPQN-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.80
Rot. Bonds6

About 4-cyclohexylbutyl N-cyclohexylcarbamate

4-cyclohexylbutyl N-cyclohexylcarbamate (PubChem CID 22978793) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-cyclohexylbutyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name4-cyclohexylbutyl N-cyclohexylcarbamate
PubChem CID22978793
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name4-cyclohexylbutyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCCCC1CCCCC1
InChIInChI=1S/C17H31NO2/c19-17(18-16-12-5-2-6-13-16)20-14-8-7-11-15-9-3-1-4-10-15/h15-16H,1-14H2,(H,18,19)
InChIKeyMLWZPBFHICOPQN-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2-(propan-2-yl)cyclohexyl cyclohexylcarbamate
CID 22978781
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 59044268
4,4'-Methylenebis(N-butoxycarbonylcyclohexanamine)
CID 11742316
2-propylpentyl N-cyclohexylcarbamate
CID 57342031
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 51682697
Carbonic acid, monoamide, N-(2-ethylhexyl)-, octyl ester
CID 91692853
Carbonic acid, monoamide, N-2-ethylhexyl-, decyl ester
CID 91692854
2-methylcyclohexyl N-cyclohexylcarbamate
CID 5128034
2-cyclohexylethyl N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)carbamate
CID 268184
heptyl N-{4-[(4-{[(heptyloxy)carbonyl]amino}cyclohexyl)methyl]cyclohexyl}carbamate
CID 3439383
nonyl N-{4-[(4-{[(nonyloxy)carbonyl]amino}cyclohexyl)methyl]cyclohexyl}carbamate
CID 3909656
Carbonic acid, monoamide, N-(hept-2-yl)-, 2-ethylhexyl ester
CID 91692978

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutyl N-cyclohexylcarbamate?
The IUPAC name of 4-cyclohexylbutyl N-cyclohexylcarbamate (CID 22978793) is 4-cyclohexylbutyl N-cyclohexylcarbamate.
What is the SMILES notation for 4-cyclohexylbutyl N-cyclohexylcarbamate?
The canonical SMILES for 4-cyclohexylbutyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCCCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutyl N-cyclohexylcarbamate?
The InChIKey is MLWZPBFHICOPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c19-17(18-16-12-5-2-6-13-16)20-14-8-7-11-15-9-3-1-4-10-15/h15-16H,1-14H2,(H,18,19).
What are the key properties of 4-cyclohexylbutyl N-cyclohexylcarbamate?
4-cyclohexylbutyl N-cyclohexylcarbamate has a molecular weight of 281.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutyl N-cyclohexylcarbamate is sourced from PubChem (CID 22978793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).