N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide

C25H34N2O — CID 45171503

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C25H34N2O/c28-24(26-16-13-22-10-5-2-6-11-22)23-20-25(23)14-18-27(19-15-25)17-7-12-21-8-3-1-4-9-21/h1,3-4,7-10,12,23H,2,5-6,11,13-20H2,(H,26,28)/b12-7+
InChIKeyYTBRIKZWLCUMPU-KPKJPENVSA-N
MW378.56 g/mol
LogP4.81
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45171503) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45171503
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC12CCN(C/C=C/c1ccccc1)CC2
InChIInChI=1S/C25H34N2O/c28-24(26-16-13-22-10-5-2-6-11-22)23-20-25(23)14-18-27(19-15-25)17-7-12-21-8-3-1-4-9-21/h1,3-4,7-10,12,23H,2,5-6,11,13-20H2,(H,26,28)/b12-7+
InChIKeyYTBRIKZWLCUMPU-KPKJPENVSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984167
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CID 45200060
N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462412
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26345003
6-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45210638
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-fluorobenzoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42501310
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-fluorobenzoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42501309
6-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45226153
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45198979
N-[2-(cyclohexen-1-yl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 55352300
(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42501832
N-(3,3-diphenylpropyl)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45253008

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45171503) is N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCC1=CCCCC1)C1CC12CCN(C/C=C/c1ccccc1)CC2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is YTBRIKZWLCUMPU-KPKJPENVSA-N. The full InChI is InChI=1S/C25H34N2O/c28-24(26-16-13-22-10-5-2-6-11-22)23-20-25(23)14-18-27(19-15-25)17-7-12-21-8-3-1-4-9-21/h1,3-4,7-10,12,23H,2,5-6,11,13-20H2,(H,26,28)/b12-7+.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45171503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).