methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate

C24H34N2O4 — CID 170012968

IUPACmethyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2ccccc2OC)C3)C1
InChIInChI=1S/C24H34N2O4/c1-23(25(2)22(28)30-4)13-18(14-23)21(27)26-11-9-24(10-12-26)15-17(16-24)19-7-5-6-8-20(19)29-3/h5-8,17-18H,9-16H2,1-4H3
InChIKeyJMUDFTODUWKXHY-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.05
Rot. Bonds4

About methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate

methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate (PubChem CID 170012968) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate
PubChem CID170012968
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Namemethyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2ccccc2OC)C3)C1
InChIInChI=1S/C24H34N2O4/c1-23(25(2)22(28)30-4)13-18(14-23)21(27)26-11-9-24(10-12-26)15-17(16-24)19-7-5-6-8-20(19)29-3/h5-8,17-18H,9-16H2,1-4H3
InChIKeyJMUDFTODUWKXHY-UHFFFAOYSA-N
XLogP4.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate with MolForge

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Related Compounds

2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163672628
N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide
CID 170012940
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
tert-butyl 2-(5-tert-butyl-2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 156864591
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163411888
2-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163475194

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate?
The IUPAC name of methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate (CID 170012968) is methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate is COC(=O)N(C)C1(C)CC(C(=O)N2CCC3(CC2)CC(c2ccccc2OC)C3)C1.
What is the InChIKey of methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate?
The InChIKey is JMUDFTODUWKXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-23(25(2)22(28)30-4)13-18(14-23)21(27)26-11-9-24(10-12-26)15-17(16-24)19-7-5-6-8-20(19)29-3/h5-8,17-18H,9-16H2,1-4H3.
What are the key properties of methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate?
methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate has a molecular weight of 414.55 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate is sourced from PubChem (CID 170012968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).