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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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).