N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide

C25H36N2O2 — CID 170012940

IUPACN-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide
SMILESCCC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2ccccc2C)C3)C1
InChIInChI=1S/C25H36N2O2/c1-5-22(28)26(4)24(3)14-20(15-24)23(29)27-12-10-25(11-13-27)16-19(17-25)21-9-7-6-8-18(21)2/h6-9,19-20H,5,10-17H2,1-4H3
InChIKeyBYLYYPWXJGRZDJ-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.52
Rot. Bonds4

About N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide

N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide (PubChem CID 170012940) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide
PubChem CID170012940
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide
SMILESCCC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2ccccc2C)C3)C1
InChIInChI=1S/C25H36N2O2/c1-5-22(28)26(4)24(3)14-20(15-24)23(29)27-12-10-25(11-13-27)16-19(17-25)21-9-7-6-8-18(21)2/h6-9,19-20H,5,10-17H2,1-4H3
InChIKeyBYLYYPWXJGRZDJ-UHFFFAOYSA-N
XLogP4.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate
CID 170012968
methyl N-methyl-N-[1-methyl-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
CID 170012978
2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163672628
2-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163475194
methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
CID 156864542
2-[4-(2-methylphenyl)piperidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
CID 166173688
N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 95293027
cyclopentyl-[(1R,2R)-2-hydroxy-1-[methyl(propyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
CID 28735727
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanone
CID 97216074
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131646569
8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881678

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide?
The IUPAC name of N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide (CID 170012940) is N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide.
What is the SMILES notation for N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide?
The canonical SMILES for N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide is CCC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2ccccc2C)C3)C1.
What is the InChIKey of N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide?
The InChIKey is BYLYYPWXJGRZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-5-22(28)26(4)24(3)14-20(15-24)23(29)27-12-10-25(11-13-27)16-19(17-25)21-9-7-6-8-18(21)2/h6-9,19-20H,5,10-17H2,1-4H3.
What are the key properties of N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide?
N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide has a molecular weight of 396.58 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide is sourced from PubChem (CID 170012940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).