(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

C24H34N2O — CID 26351280

IUPAC(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C[C@H]1CC=CCC1)CC2
InChIInChI=1S/C24H34N2O/c27-23(25-15-7-12-20-8-3-1-4-9-20)22-18-24(22)13-16-26(17-14-24)19-21-10-5-2-6-11-21/h1-5,8-9,21-22H,6-7,10-19H2,(H,25,27)/t21-,22-/m0/s1
InChIKeyZSEZVSLQLGSHKS-VXKWHMMOSA-N
MW366.55 g/mol
LogP4.19
Rot. Bonds7

About (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26351280) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID26351280
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C[C@H]1CC=CCC1)CC2
InChIInChI=1S/C24H34N2O/c27-23(25-15-7-12-20-8-3-1-4-9-20)22-18-24(22)13-16-26(17-14-24)19-21-10-5-2-6-11-21/h1-5,8-9,21-22H,6-7,10-19H2,(H,25,27)/t21-,22-/m0/s1
InChIKeyZSEZVSLQLGSHKS-VXKWHMMOSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.19
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

6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465422
6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126467319
N-(3-phenylpropyl)-6-[(2,4,5-trimethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45216913
(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42245962
N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465913
N-(2-phenylethyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126464637
N-(3-pyridin-4-ylpropyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465408
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635
ethyl 4-[[(2S)-6-[[(1S)-cyclohex-3-en-1-yl]methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 26278265
(2S)-6-[5-(methoxymethyl)furan-2-carbonyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382729
6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463337

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 26351280) is (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C[C@H]1CC=CCC1)CC2.
What is the InChIKey of (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZSEZVSLQLGSHKS-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H34N2O/c27-23(25-15-7-12-20-8-3-1-4-9-20)22-18-24(22)13-16-26(17-14-24)19-21-10-5-2-6-11-21/h1-5,8-9,21-22H,6-7,10-19H2,(H,25,27)/t21-,22-/m0/s1.
What are the key properties of (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26351280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).