N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H26N2O3 — CID 91924734

IUPACN-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2ccc(C)cc2)CC12CCOCC2
InChIInChI=1S/C19H26N2O3/c1-14-3-5-15(6-4-14)11-17(22)21-12-16(18(23)20-2)19(13-21)7-9-24-10-8-19/h3-6,16H,7-13H2,1-2H3,(H,20,23)
InChIKeyQNEFGVDEQJEOQD-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.54
Rot. Bonds3

About N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924734) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924734
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCNC(=O)C1CN(C(=O)Cc2ccc(C)cc2)CC12CCOCC2
InChIInChI=1S/C19H26N2O3/c1-14-3-5-15(6-4-14)11-17(22)21-12-16(18(23)20-2)19(13-21)7-9-24-10-8-19/h3-6,16H,7-13H2,1-2H3,(H,20,23)
InChIKeyQNEFGVDEQJEOQD-UHFFFAOYSA-N
XLogP1.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924734) is N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CNC(=O)C1CN(C(=O)Cc2ccc(C)cc2)CC12CCOCC2.
What is the InChIKey of N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is QNEFGVDEQJEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-3-5-15(6-4-14)11-17(22)21-12-16(18(23)20-2)19(13-21)7-9-24-10-8-19/h3-6,16H,7-13H2,1-2H3,(H,20,23).
What are the key properties of N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).