N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C23H34N2O2 — CID 126462412

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCc1ccc(CN2CCC3(CC2)CC3C(=O)NCCC2=CCCCC2)o1
InChIInChI=1S/C23H34N2O2/c1-2-19-8-9-20(27-19)17-25-14-11-23(12-15-25)16-21(23)22(26)24-13-10-18-6-4-3-5-7-18/h6,8-9,21H,2-5,7,10-17H2,1H3,(H,24,26)
InChIKeyIVIKLSMRXQEDJV-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.45
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126462412) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126462412
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCc1ccc(CN2CCC3(CC2)CC3C(=O)NCCC2=CCCCC2)o1
InChIInChI=1S/C23H34N2O2/c1-2-19-8-9-20(27-19)17-25-14-11-23(12-15-25)16-21(23)22(26)24-13-10-18-6-4-3-5-7-18/h6,8-9,21H,2-5,7,10-17H2,1H3,(H,24,26)
InChIKeyIVIKLSMRXQEDJV-UHFFFAOYSA-N
XLogP4.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45171503
(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-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45200060
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]acetamide
CID 17148751
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45198979
(2R)-6-[(4-ethylphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26275088
6-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[2-(cyclohexen-1-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45210638
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
N-(2-phenylethyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126464637

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126462412) is N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is CCc1ccc(CN2CCC3(CC2)CC3C(=O)NCCC2=CCCCC2)o1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is IVIKLSMRXQEDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-2-19-8-9-20(27-19)17-25-14-11-23(12-15-25)16-21(23)22(26)24-13-10-18-6-4-3-5-7-18/h6,8-9,21H,2-5,7,10-17H2,1H3,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-[(5-ethylfuran-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126462412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).