cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate

C17H21NO2 — CID 90710466

IUPACcyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate
SMILESC=CC(=C)c1ccc(NC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C17H21NO2/c1-3-13(2)14-9-11-15(12-10-14)18-17(19)20-16-7-5-4-6-8-16/h3,9-12,16H,1-2,4-8H2,(H,18,19)
InChIKeyCWLJJGWZCORDBT-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.77
Rot. Bonds4

About cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate

cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate (PubChem CID 90710466) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate.

Molecular Properties

Compound Namecyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate
PubChem CID90710466
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Namecyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate
SMILESC=CC(=C)c1ccc(NC(=O)OC2CCCCC2)cc1
InChIInChI=1S/C17H21NO2/c1-3-13(2)14-9-11-15(12-10-14)18-17(19)20-16-7-5-4-6-8-16/h3,9-12,16H,1-2,4-8H2,(H,18,19)
InChIKeyCWLJJGWZCORDBT-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)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

cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
CID 139715310
cyclohexyl 4-(dimethylcarbamoylamino)benzoate
CID 110443782
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
CID 166409112
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl N-pyridin-2-ylcarbamate
CID 127539206
cyclohexyl 2-(4-cyanophenyl)prop-2-enoate
CID 66660518

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate?
The IUPAC name of cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate (CID 90710466) is cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate.
What is the SMILES notation for cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate?
The canonical SMILES for cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate is C=CC(=C)c1ccc(NC(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate?
The InChIKey is CWLJJGWZCORDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-13(2)14-9-11-15(12-10-14)18-17(19)20-16-7-5-4-6-8-16/h3,9-12,16H,1-2,4-8H2,(H,18,19).
What are the key properties of cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate?
cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate has a molecular weight of 271.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate is sourced from PubChem (CID 90710466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).