3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide

C26H31N3O4 — CID 118417206

IUPAC3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)N2CCC3(CC2)COC(=O)N3c2ccccc2)C(C)C)c1
InChIInChI=1S/C26H31N3O4/c1-18(2)22(27-23(30)20-9-7-8-19(3)16-20)24(31)28-14-12-26(13-15-28)17-33-25(32)29(26)21-10-5-4-6-11-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,30)
InChIKeyNYLKTDGFIYPAJX-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.77
Rot. Bonds5

About 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide

3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide (PubChem CID 118417206) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide
PubChem CID118417206
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)N2CCC3(CC2)COC(=O)N3c2ccccc2)C(C)C)c1
InChIInChI=1S/C26H31N3O4/c1-18(2)22(27-23(30)20-9-7-8-19(3)16-20)24(31)28-14-12-26(13-15-28)17-33-25(32)29(26)21-10-5-4-6-11-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,30)
InChIKeyNYLKTDGFIYPAJX-UHFFFAOYSA-N
XLogP3.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147508
3-fluoro-1-[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]pyrrolidine-3-carboxylic acid
CID 119258876
N-[1-[1-(3-bromophenyl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 118417473
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide;hydrochloride
CID 119414689
N-[1-[1-(2-chlorophenyl)-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 118417441
3-(5-oxo-6-oxa-4-azaspiro[2.4]heptan-4-yl)benzoic acid
CID 105492189
3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 123840274
N-[(2S)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31611312
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 2109061
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide
CID 91938074

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide (CID 118417206) is 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide is Cc1cccc(C(=O)NC(C(=O)N2CCC3(CC2)COC(=O)N3c2ccccc2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide?
The InChIKey is NYLKTDGFIYPAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18(2)22(27-23(30)20-9-7-8-19(3)16-20)24(31)28-14-12-26(13-15-28)17-33-25(32)29(26)21-10-5-4-6-11-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,27,30).
What are the key properties of 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide?
3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide has a molecular weight of 449.55 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide is sourced from PubChem (CID 118417206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).