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

C25H30N2O2 — CID 45200060

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC12CCN(C(=O)C#Cc1ccccc1)CC2
InChIInChI=1S/C25H30N2O2/c28-23(12-11-20-7-3-1-4-8-20)27-17-14-25(15-18-27)19-22(25)24(29)26-16-13-21-9-5-2-6-10-21/h1,3-4,7-9,22H,2,5-6,10,13-19H2,(H,26,29)
InChIKeyBATSICVDORBSCD-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.67
Rot. Bonds4

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

N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45200060) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45200060
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC12CCN(C(=O)C#Cc1ccccc1)CC2
InChIInChI=1S/C25H30N2O2/c28-23(12-11-20-7-3-1-4-8-20)27-17-14-25(15-18-27)19-22(25)24(29)26-16-13-21-9-5-2-6-10-21/h1,3-4,7-9,22H,2,5-6,10,13-19H2,(H,26,29)
InChIKeyBATSICVDORBSCD-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

(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
N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45171503
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45198979
(2R)-6-(3-phenylprop-2-ynoyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125170674
6-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45210638
N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462412
(2R)-N-(3,5-dimethylphenyl)-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42248101
(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-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45226153
(2R)-N-(2-phenylethyl)-6-(2-phenylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26339474
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45200060) is N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCC1=CCCCC1)C1CC12CCN(C(=O)C#Cc1ccccc1)CC2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is BATSICVDORBSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-23(12-11-20-7-3-1-4-8-20)27-17-14-25(15-18-27)19-22(25)24(29)26-16-13-21-9-5-2-6-10-21/h1,3-4,7-9,22H,2,5-6,10,13-19H2,(H,26,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.67, 4 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-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45200060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).