[(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate

C20H29NO2 — CID 10734137

IUPAC[(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate
SMILESCCCCC/C=C\C(OC(=O)Nc1ccccc1)C1CCCC1
InChIInChI=1S/C20H29NO2/c1-2-3-4-5-9-16-19(17-12-10-11-13-17)23-20(22)21-18-14-7-6-8-15-18/h6-9,14-17,19H,2-5,10-13H2,1H3,(H,21,22)/b16-9-
InChIKeyYHMTWZVQSJFKED-SXGWCWSVSA-N
MW315.46 g/mol
LogP5.93
Rot. Bonds8

About [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate

[(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate (PubChem CID 10734137) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate
PubChem CID10734137
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name[(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate
SMILESCCCCC/C=C\C(OC(=O)Nc1ccccc1)C1CCCC1
InChIInChI=1S/C20H29NO2/c1-2-3-4-5-9-16-19(17-12-10-11-13-17)23-20(22)21-18-14-7-6-8-15-18/h6-9,14-17,19H,2-5,10-13H2,1H3,(H,21,22)/b16-9-
InChIKeyYHMTWZVQSJFKED-SXGWCWSVSA-N
XLogP5.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3aR,4R,5R,6aS)-2-oxo-4-[(Z,1S)-1-(phenylcarbamoyloxy)oct-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
CID 10719898
N-phenyldec-2-enamide
CID 72974313
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
CID 71586856
dodecyl N-phenylcarbamate
CID 521818
benzyl N-[(E)-tridec-7-en-6-yl]carbamate
CID 102473068
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide
CID 15687746
(2R)-2-[(E,1S)-1-phenylmethoxyundec-2-enyl]oxirane
CID 66559963
[(E,1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexadec-2-enyl] benzoate
CID 11155967
dimethyl 2-[(E)-1-phenylnon-2-enyl]propanedioate
CID 102138325

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate?
The IUPAC name of [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate (CID 10734137) is [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate.
What is the SMILES notation for [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate?
The canonical SMILES for [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate is CCCCC/C=C\C(OC(=O)Nc1ccccc1)C1CCCC1.
What is the InChIKey of [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate?
The InChIKey is YHMTWZVQSJFKED-SXGWCWSVSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-3-4-5-9-16-19(17-12-10-11-13-17)23-20(22)21-18-14-7-6-8-15-18/h6-9,14-17,19H,2-5,10-13H2,1H3,(H,21,22)/b16-9-.
What are the key properties of [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate?
[(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate has a molecular weight of 315.46 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-cyclopentyloct-2-enyl] N-phenylcarbamate is sourced from PubChem (CID 10734137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).