9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide

C24H29N3O2 — CID 162631678

IUPAC9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C24H29N3O2/c1-2-19-10-12-21(13-11-19)25-23(29)27-17-7-15-24(27)14-6-16-26(22(24)28)18-20-8-4-3-5-9-20/h3-5,8-13H,2,6-7,14-18H2,1H3,(H,25,29)
InChIKeyTXISEPCUOXLJEL-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.44
Rot. Bonds4

About 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide

9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide (PubChem CID 162631678) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound Name9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
PubChem CID162631678
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)cc1
InChIInChI=1S/C24H29N3O2/c1-2-19-10-12-21(13-11-19)25-23(29)27-17-7-15-24(27)14-6-16-26(22(24)28)18-20-8-4-3-5-9-20/h3-5,8-13H,2,6-7,14-18H2,1H3,(H,25,29)
InChIKeyTXISEPCUOXLJEL-UHFFFAOYSA-N
XLogP4.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162637207
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
CID 59102576
9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635914
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
9-benzyl-1-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635128
(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95101218
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide (CID 162631678) is 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide is CCc1ccc(NC(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)cc1.
What is the InChIKey of 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The InChIKey is TXISEPCUOXLJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-19-10-12-21(13-11-19)25-23(29)27-17-7-15-24(27)14-6-16-26(22(24)28)18-20-8-4-3-5-9-20/h3-5,8-13H,2,6-7,14-18H2,1H3,(H,25,29).
What are the key properties of 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 162631678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).