4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide

C20H27N3O3 — CID 70788911

IUPAC4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide
SMILESCc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)CC(=O)N(C)C3)cc1
InChIInChI=1S/C20H27N3O3/c1-15-3-5-16(6-4-15)19(26)21-10-7-17(24)23-11-8-20(9-12-23)13-18(25)22(2)14-20/h3-6H,7-14H2,1-2H3,(H,21,26)
InChIKeyNFLYWHSKXZLGTB-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.59
Rot. Bonds4

About 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide

4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide (PubChem CID 70788911) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide
PubChem CID70788911
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide
SMILESCc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)CC(=O)N(C)C3)cc1
InChIInChI=1S/C20H27N3O3/c1-15-3-5-16(6-4-15)19(26)21-10-7-17(24)23-11-8-20(9-12-23)13-18(25)22(2)14-20/h3-6H,7-14H2,1-2H3,(H,21,26)
InChIKeyNFLYWHSKXZLGTB-UHFFFAOYSA-N
XLogP1.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide
CID 56747786
N-[3-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-3-oxopropyl]-4-methylbenzamide
CID 50975347
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-4-methylbenzamide
CID 2977263
2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70773830
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide
CID 10005478
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 120808692
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
8-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728950
8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70761976

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide (CID 70788911) is 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide is Cc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)CC(=O)N(C)C3)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide?
The InChIKey is NFLYWHSKXZLGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-3-5-16(6-4-15)19(26)21-10-7-17(24)23-11-8-20(9-12-23)13-18(25)22(2)14-20/h3-6H,7-14H2,1-2H3,(H,21,26).
What are the key properties of 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide?
4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 70788911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).