4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate

C16H27NO3 — CID 159929898

IUPAC4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate
SMILESC[C@H]1CC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
InChIInChI=1S/C16H27NO3/c1-12-11-14(18)15(12)17-16(19)20-10-6-5-9-13-7-3-2-4-8-13/h12-13,15H,2-11H2,1H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyQNWSPZLFKYFAQW-SWLSCSKDSA-N
MW281.40 g/mol
LogP3.44
Rot. Bonds6

About 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate

4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate (PubChem CID 159929898) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate.

Molecular Properties

Compound Name4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate
PubChem CID159929898
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate
SMILESC[C@H]1CC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
InChIInChI=1S/C16H27NO3/c1-12-11-14(18)15(12)17-16(19)20-10-6-5-9-13-7-3-2-4-8-13/h12-13,15H,2-11H2,1H3,(H,17,19)/t12-,15+/m0/s1
InChIKeyQNWSPZLFKYFAQW-SWLSCSKDSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate 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

5-cyclohexylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 86282482
4-cycloheptylbutyl butanoate
CID 54174835
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
methyl (2S)-2-(3-cyclohexylpropoxycarbonylamino)-4-methylpentanoate
CID 175392197
4-cyclohexylbutyl 4-propylbenzoate
CID 171776256
4-cyclohexylbutyl 2-oxopyridine-1-carboxylate
CID 131746473
6-(5-cyclohexylpentylamino)hexyl prop-2-enoate
CID 70560531
but-3-ynyl N-(4-cyclononylbutyl)carbamate
CID 167157610
(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
CID 164901187

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate?
The IUPAC name of 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate (CID 159929898) is 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate.
What is the SMILES notation for 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate?
The canonical SMILES for 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate is C[C@H]1CC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate?
The InChIKey is QNWSPZLFKYFAQW-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-11-14(18)15(12)17-16(19)20-10-6-5-9-13-7-3-2-4-8-13/h12-13,15H,2-11H2,1H3,(H,17,19)/t12-,15+/m0/s1.
What are the key properties of 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate?
4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate has a molecular weight of 281.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutyl N-[(1R,2S)-2-methyl-4-oxocyclobutyl]carbamate is sourced from PubChem (CID 159929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).