N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C24H30N2O3 — CID 126463598

IUPACN-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1cc(O)ccc1CN1CCC2(CC1)CC2C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C24H30N2O3/c1-16-10-17(2)12-19(11-16)25-23(28)21-14-24(21)6-8-26(9-7-24)15-18-4-5-20(27)13-22(18)29-3/h4-5,10-13,21,27H,6-9,14-15H2,1-3H3,(H,25,28)
InChIKeyQJCXDBAFPVXDNM-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.26
Rot. Bonds5

About N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126463598) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126463598
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCOc1cc(O)ccc1CN1CCC2(CC1)CC2C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C24H30N2O3/c1-16-10-17(2)12-19(11-16)25-23(28)21-14-24(21)6-8-26(9-7-24)15-18-4-5-20(27)13-22(18)29-3/h4-5,10-13,21,27H,6-9,14-15H2,1-3H3,(H,25,28)
InChIKeyQJCXDBAFPVXDNM-UHFFFAOYSA-N
XLogP4.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45176348
N-(3,5-dimethylphenyl)-6-[(4-pyrimidin-2-yloxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45188828
N-(3-chloro-4-methoxyphenyl)-6-[(3-ethoxy-2-hydroxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45181094
6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 145310242
N-(3-chloro-4-methoxyphenyl)-6-(quinolin-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45166342
N-(3-chloro-4-methoxyphenyl)-6-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463914
6-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45170225
6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 56852963
(2R)-N-(3,5-dimethylphenyl)-6-(2-imidazol-1-ylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42431804
(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382339
(2S)-6-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125159900
(2R)-N-(3-chloro-4-methoxyphenyl)-6-(3-methylbutyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26349243

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126463598) is N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1cc(O)ccc1CN1CCC2(CC1)CC2C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is QJCXDBAFPVXDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-10-17(2)12-19(11-16)25-23(28)21-14-24(21)6-8-26(9-7-24)15-18-4-5-20(27)13-22(18)29-3/h4-5,10-13,21,27H,6-9,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126463598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).