1-cyclohexylethyl N-nonylcarbamate

C18H35NO2 — CID 123611049

IUPAC1-cyclohexylethyl N-nonylcarbamate
SMILESCCCCCCCCCNC(=O)OC(C)C1CCCCC1
InChIInChI=1S/C18H35NO2/c1-3-4-5-6-7-8-12-15-19-18(20)21-16(2)17-13-10-9-11-14-17/h16-17H,3-15H2,1-2H3,(H,19,20)
InChIKeyDYYDPLSTNGWTLH-UHFFFAOYSA-N
MW297.48 g/mol
LogP5.43
Rot. Bonds10

About 1-cyclohexylethyl N-nonylcarbamate

1-cyclohexylethyl N-nonylcarbamate (PubChem CID 123611049) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-cyclohexylethyl N-nonylcarbamate.

Molecular Properties

Compound Name1-cyclohexylethyl N-nonylcarbamate
PubChem CID123611049
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-cyclohexylethyl N-nonylcarbamate
SMILESCCCCCCCCCNC(=O)OC(C)C1CCCCC1
InChIInChI=1S/C18H35NO2/c1-3-4-5-6-7-8-12-15-19-18(20)21-16(2)17-13-10-9-11-14-17/h16-17H,3-15H2,1-2H3,(H,19,20)
InChIKeyDYYDPLSTNGWTLH-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.48
LogP ≤ 55.43
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

1-cycloheptylethyl undecanoate
CID 173328758
1-cyclohexylethyl tridecanoate
CID 173328864
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
CID 129383287
[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
CID 134419359
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-butyl-2-cyclopentylpropanamide
CID 173178636
methyl N-nonylcarbamate
CID 5102101
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
2-cyclohexyl-N-octylacetamide
CID 3547359

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethyl N-nonylcarbamate?
The IUPAC name of 1-cyclohexylethyl N-nonylcarbamate (CID 123611049) is 1-cyclohexylethyl N-nonylcarbamate.
What is the SMILES notation for 1-cyclohexylethyl N-nonylcarbamate?
The canonical SMILES for 1-cyclohexylethyl N-nonylcarbamate is CCCCCCCCCNC(=O)OC(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethyl N-nonylcarbamate?
The InChIKey is DYYDPLSTNGWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-4-5-6-7-8-12-15-19-18(20)21-16(2)17-13-10-9-11-14-17/h16-17H,3-15H2,1-2H3,(H,19,20).
What are the key properties of 1-cyclohexylethyl N-nonylcarbamate?
1-cyclohexylethyl N-nonylcarbamate has a molecular weight of 297.48 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl N-nonylcarbamate is sourced from PubChem (CID 123611049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).