2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide

C30H32N2O5 — CID 171685247

IUPAC2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CC23CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC3)c(O)c1OC
InChIInChI=1S/C30H32N2O5/c1-19-8-10-20(11-9-19)21-6-4-5-7-22(21)29(35)32-16-14-30(15-17-32)18-25(30)31-28(34)23-12-13-24(36-2)27(37-3)26(23)33/h4-13,25,33H,14-18H2,1-3H3,(H,31,34)
InChIKeyVGAWKPZWGJJUQN-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.81
Rot. Bonds6

About 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide

2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide (PubChem CID 171685247) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide
PubChem CID171685247
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Name2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CC23CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC3)c(O)c1OC
InChIInChI=1S/C30H32N2O5/c1-19-8-10-20(11-9-19)21-6-4-5-7-22(21)29(35)32-16-14-30(15-17-32)18-25(30)31-28(34)23-12-13-24(36-2)27(37-3)26(23)33/h4-13,25,33H,14-18H2,1-3H3,(H,31,34)
InChIKeyVGAWKPZWGJJUQN-UHFFFAOYSA-N
XLogP4.81
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide
CID 67129577
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108740066
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 171685665
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-3-methylphenyl)naphthalen-1-yl]methanone
CID 175641456
N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 27854744
N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 169413685
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide?
The IUPAC name of 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide (CID 171685247) is 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide is COc1ccc(C(=O)NC2CC23CCN(C(=O)c2ccccc2-c2ccc(C)cc2)CC3)c(O)c1OC.
What is the InChIKey of 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide?
The InChIKey is VGAWKPZWGJJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-19-8-10-20(11-9-19)21-6-4-5-7-22(21)29(35)32-16-14-30(15-17-32)18-25(30)31-28(34)23-12-13-24(36-2)27(37-3)26(23)33/h4-13,25,33H,14-18H2,1-3H3,(H,31,34).
What are the key properties of 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide?
2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide has a molecular weight of 500.60 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide is sourced from PubChem (CID 171685247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).