(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide

C27H36N2O2 — CID 42275265

IUPAC(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@H]1CC12CCN(CC[C@H](C)c1ccccc1)CC2
InChIInChI=1S/C27H36N2O2/c1-21(22-8-4-3-5-9-22)13-17-29-18-14-27(15-19-29)20-24(27)26(30)28-16-12-23-10-6-7-11-25(23)31-2/h3-11,21,24H,12-20H2,1-2H3,(H,28,30)/t21-,24+/m0/s1
InChIKeyDUNMBTVUJATVQU-XUZZJYLKSA-N
MW420.60 g/mol
LogP4.65
Rot. Bonds9

About (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42275265) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42275265
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@H]1CC12CCN(CC[C@H](C)c1ccccc1)CC2
InChIInChI=1S/C27H36N2O2/c1-21(22-8-4-3-5-9-22)13-17-29-18-14-27(15-19-29)20-24(27)26(30)28-16-12-23-10-6-7-11-25(23)31-2/h3-11,21,24H,12-20H2,1-2H3,(H,28,30)/t21-,24+/m0/s1
InChIKeyDUNMBTVUJATVQU-XUZZJYLKSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

6-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45170225
(2R)-6-[(4-ethylphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26275088
6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 56852963
(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42434992
(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382339
2-[(2-methoxyphenyl)methyl]-3-(spiro[2.2]pentane-2-carbonylamino)propanoic acid
CID 122108247
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide
CID 138011120
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
(2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42407474
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42275265) is (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1ccccc1CCNC(=O)[C@H]1CC12CCN(CC[C@H](C)c1ccccc1)CC2.
What is the InChIKey of (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is DUNMBTVUJATVQU-XUZZJYLKSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-21(22-8-4-3-5-9-22)13-17-29-18-14-27(15-19-29)20-24(27)26(30)28-16-12-23-10-6-7-11-25(23)31-2/h3-11,21,24H,12-20H2,1-2H3,(H,28,30)/t21-,24+/m0/s1.
What are the key properties of (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42275265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).