(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide

C25H28N2O2 — CID 42501832

IUPAC(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CC12CCN(C(=O)/C=C/c1ccccc1)CC2
InChIInChI=1S/C25H28N2O2/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/h1-12,22H,13-19H2,(H,26,29)/b12-11+/t22-/m0/s1
InChIKeyYTHJGSFVLPKHOE-LEQVUBRHSA-N
MW388.51 g/mol
LogP3.69
Rot. Bonds6

About (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42501832) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42501832
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CC12CCN(C(=O)/C=C/c1ccccc1)CC2
InChIInChI=1S/C25H28N2O2/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/h1-12,22H,13-19H2,(H,26,29)/b12-11+/t22-/m0/s1
InChIKeyYTHJGSFVLPKHOE-LEQVUBRHSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]-6-(3-phenylprop-2-enoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 74801916
(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
6-[3-(3-fluorophenyl)prop-2-enoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 171134516
(2S)-N-(3-pyridin-4-ylpropyl)-6-[(E)-3-thiophen-2-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429855
N-(2-phenylethyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126464637
N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 29441570
N-[2-(cyclohexen-1-yl)ethyl]-6-[(E)-3-phenylprop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45171503
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
(2S)-6-[5-(methoxymethyl)furan-2-carbonyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382729
(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382339

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42501832) is (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCc1ccccc1)[C@@H]1CC12CCN(C(=O)/C=C/c1ccccc1)CC2.
What is the InChIKey of (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is YTHJGSFVLPKHOE-LEQVUBRHSA-N. The full InChI is InChI=1S/C25H28N2O2/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/h1-12,22H,13-19H2,(H,26,29)/b12-11+/t22-/m0/s1.
What are the key properties of (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42501832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).