butyl N,N-dicyclohexylcarbamate

C17H31NO2 — CID 13416417

IUPACbutyl N,N-dicyclohexylcarbamate
SMILESCCCCOC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31NO2/c1-2-3-14-20-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3
InChIKeyGBOTUKCJOWRZCY-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.89
Rot. Bonds5

About butyl N,N-dicyclohexylcarbamate

butyl N,N-dicyclohexylcarbamate (PubChem CID 13416417) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is butyl N,N-dicyclohexylcarbamate.

Molecular Properties

Compound Namebutyl N,N-dicyclohexylcarbamate
PubChem CID13416417
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Namebutyl N,N-dicyclohexylcarbamate
SMILESCCCCOC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H31NO2/c1-2-3-14-20-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3
InChIKeyGBOTUKCJOWRZCY-UHFFFAOYSA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl N,N-dicyclohexylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl N-cyclopropyl-N-piperidin-4-ylcarbamate
CID 90908771
pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819
butyl 2-[acetyl(cyclohexyl)amino]acetate
CID 57021801
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072
butyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 57064221
butyl N-amino-N-ethylcarbamate
CID 87167247
5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate
CID 169317552
3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate
CID 141216630
ethyl N-cyclohexyl-N-octadecoxycarbamate
CID 149251240
(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
CID 21389965
butyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(1S)-1-cyclohexylethyl]carbamate
CID 67893688
(ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
CID 21389985

Frequently Asked Questions

What is the IUPAC name of butyl N,N-dicyclohexylcarbamate?
The IUPAC name of butyl N,N-dicyclohexylcarbamate (CID 13416417) is butyl N,N-dicyclohexylcarbamate.
What is the SMILES notation for butyl N,N-dicyclohexylcarbamate?
The canonical SMILES for butyl N,N-dicyclohexylcarbamate is CCCCOC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of butyl N,N-dicyclohexylcarbamate?
The InChIKey is GBOTUKCJOWRZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-3-14-20-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3.
What are the key properties of butyl N,N-dicyclohexylcarbamate?
butyl N,N-dicyclohexylcarbamate has a molecular weight of 281.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N,N-dicyclohexylcarbamate is sourced from PubChem (CID 13416417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).