tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate

C16H29NO3 — CID 155935064

IUPACtert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate
SMILESCCCCN(C(=O)OC(C)(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C16H29NO3/c1-5-6-12-17(15(19)20-16(2,3)4)14(18)13-10-8-7-9-11-13/h13H,5-12H2,1-4H3
InChIKeyKEYAIYAMRPDFPL-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate

tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate (PubChem CID 155935064) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate
PubChem CID155935064
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate
SMILESCCCCN(C(=O)OC(C)(C)C)C(=O)C1CCCCC1
InChIInChI=1S/C16H29NO3/c1-5-6-12-17(15(19)20-16(2,3)4)14(18)13-10-8-7-9-11-13/h13H,5-12H2,1-4H3
InChIKeyKEYAIYAMRPDFPL-UHFFFAOYSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate?
The IUPAC name of tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate (CID 155935064) is tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate.
What is the SMILES notation for tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate?
The canonical SMILES for tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate is CCCCN(C(=O)OC(C)(C)C)C(=O)C1CCCCC1.
What is the InChIKey of tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate?
The InChIKey is KEYAIYAMRPDFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-5-6-12-17(15(19)20-16(2,3)4)14(18)13-10-8-7-9-11-13/h13H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate?
tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate has a molecular weight of 283.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-(cyclohexanecarbonyl)carbamate is sourced from PubChem (CID 155935064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).