2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide

C21H23N3O2 — CID 134070625

IUPAC2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1cccc(N2CC3(CCN(C(=O)Nc4ccccc4)C3)CC2=O)c1
InChIInChI=1S/C21H23N3O2/c1-16-6-5-9-18(12-16)24-15-21(13-19(24)25)10-11-23(14-21)20(26)22-17-7-3-2-4-8-17/h2-9,12H,10-11,13-15H2,1H3,(H,22,26)
InChIKeyIQBPRLYXZGUNJG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.66
Rot. Bonds2

About 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide

2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 134070625) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID134070625
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1cccc(N2CC3(CCN(C(=O)Nc4ccccc4)C3)CC2=O)c1
InChIInChI=1S/C21H23N3O2/c1-16-6-5-9-18(12-16)24-15-21(13-19(24)25)10-11-23(14-21)20(26)22-17-7-3-2-4-8-17/h2-9,12H,10-11,13-15H2,1H3,(H,22,26)
InChIKeyIQBPRLYXZGUNJG-UHFFFAOYSA-N
XLogP3.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134073071
2-(3-methylphenyl)-7-(2-phenoxyacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131662035
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
2-(4-methylphenyl)-7-(2-phenylacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134070621
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982829
3-methyl-1-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074906
4-methyl-1-(3-methylphenyl)-4-phenylpiperidin-2-one
CID 67104716
7-[2-(dimethylamino)acetyl]-2-(3-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155854850
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
N-(4-chlorophenyl)-4-(3-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113142

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 134070625) is 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide is Cc1cccc(N2CC3(CCN(C(=O)Nc4ccccc4)C3)CC2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is IQBPRLYXZGUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-6-5-9-18(12-16)24-15-21(13-19(24)25)10-11-23(14-21)20(26)22-17-7-3-2-4-8-17/h2-9,12H,10-11,13-15H2,1H3,(H,22,26).
What are the key properties of 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 134070625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).