2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide

C27H33N3O2 — CID 53366781

IUPAC2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C27H33N3O2/c1-20-15-17-27(18-16-20)29-25(23-11-7-4-8-12-23)26(32)30(27)19-24(31)28-21(2)13-14-22-9-5-3-6-10-22/h3-12,20-21H,13-19H2,1-2H3,(H,28,31)
InChIKeyZPNRSQLBIDNZKG-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.36
Rot. Bonds7

About 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 53366781) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID53366781
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C27H33N3O2/c1-20-15-17-27(18-16-20)29-25(23-11-7-4-8-12-23)26(32)30(27)19-24(31)28-21(2)13-14-22-9-5-3-6-10-22/h3-12,20-21H,13-19H2,1-2H3,(H,28,31)
InChIKeyZPNRSQLBIDNZKG-UHFFFAOYSA-N
XLogP4.36
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 53366759
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344
2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7917605
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95185354
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7490784
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
(2R)-5-[4-[2-[8-tert-butyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]phenyl]-2-methyl-5-oxopentanoic acid
CID 58353811
2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 64611423
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 53366781) is 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide is CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is ZPNRSQLBIDNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-20-15-17-27(18-16-20)29-25(23-11-7-4-8-12-23)26(32)30(27)19-24(31)28-21(2)13-14-22-9-5-3-6-10-22/h3-12,20-21H,13-19H2,1-2H3,(H,28,31).
What are the key properties of 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 431.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 53366781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).