6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

C24H30N2O3 — CID 56852963

IUPAC6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC12CCN(Cc1cccc(O)c1)CC2
InChIInChI=1S/C24H30N2O3/c1-29-22-8-3-2-6-19(22)9-12-25-23(28)21-16-24(21)10-13-26(14-11-24)17-18-5-4-7-20(27)15-18/h2-8,15,21,27H,9-14,16-17H2,1H3,(H,25,28)
InChIKeyCWUVMYYNIVTVPD-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.36
Rot. Bonds7

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

6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 56852963) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID56852963
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC12CCN(Cc1cccc(O)c1)CC2
InChIInChI=1S/C24H30N2O3/c1-29-22-8-3-2-6-19(22)9-12-25-23(28)21-16-24(21)10-13-26(14-11-24)17-18-5-4-7-20(27)15-18/h2-8,15,21,27H,9-14,16-17H2,1H3,(H,25,28)
InChIKeyCWUVMYYNIVTVPD-UHFFFAOYSA-N
XLogP3.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42434992
(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42275265
(2S)-6-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42167921
(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382339
6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45168104
N-(3-phenylpropyl)-6-[(2,4,5-trimethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45216913
(2S)-6-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125159900
6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide
CID 138011120
(4-benzylpiperazin-1-yl)-[6-[(2,4,5-trimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
CID 45174378
(2R)-6-[(3-ethoxy-4-methoxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42345173

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 56852963) is 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1ccccc1CCNC(=O)C1CC12CCN(Cc1cccc(O)c1)CC2.
What is the InChIKey of 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is CWUVMYYNIVTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-29-22-8-3-2-6-19(22)9-12-25-23(28)21-16-24(21)10-13-26(14-11-24)17-18-5-4-7-20(27)15-18/h2-8,15,21,27H,9-14,16-17H2,1H3,(H,25,28).
What are the key properties of 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 56852963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).