2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C22H27N3O — CID 143644114

IUPAC2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1ccc(C2N(C)CC23CCN(C(=O)Nc2ccccc2)CC3)cc1
InChIInChI=1S/C22H27N3O/c1-17-8-10-18(11-9-17)20-22(16-24(20)2)12-14-25(15-13-22)21(26)23-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,23,26)
InChIKeyYVNUZVCOXNDYIH-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.30
Rot. Bonds2

About 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 143644114) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID143644114
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1ccc(C2N(C)CC23CCN(C(=O)Nc2ccccc2)CC3)cc1
InChIInChI=1S/C22H27N3O/c1-17-8-10-18(11-9-17)20-22(16-24(20)2)12-14-25(15-13-22)21(26)23-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,23,26)
InChIKeyYVNUZVCOXNDYIH-UHFFFAOYSA-N
XLogP4.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 143644158
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
(3R)-N-[(4-methylphenyl)methyl]-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 164639376
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
N-(4-bromophenyl)-3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24898115
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 164635653
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59686199

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 143644114) is 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is Cc1ccc(C2N(C)CC23CCN(C(=O)Nc2ccccc2)CC3)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is YVNUZVCOXNDYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-8-10-18(11-9-17)20-22(16-24(20)2)12-14-25(15-13-22)21(26)23-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)-N-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 143644114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).