N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C19H23N3O4 — CID 2703428

IUPACN-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1
InChIInChI=1S/C19H23N3O4/c1-12-6-3-4-9-19(12)17(25)22(18(26)21-19)11-16(24)20-15-8-5-7-14(10-15)13(2)23/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,20,24)(H,21,26)/t12-,19+/m1/s1
InChIKeyHLVMUALABYTKFR-BLVKFPJESA-N
MW357.41 g/mol
LogP2.33
Rot. Bonds4

About N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 2703428) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID2703428
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1
InChIInChI=1S/C19H23N3O4/c1-12-6-3-4-9-19(12)17(25)22(18(26)21-19)11-16(24)20-15-8-5-7-14(10-15)13(2)23/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,20,24)(H,21,26)/t12-,19+/m1/s1
InChIKeyHLVMUALABYTKFR-BLVKFPJESA-N
XLogP2.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703426
N-(4-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585170
N-(4-acetylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2585168
N-(3-cyanophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703516
N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 51592951
N-(3-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703513
N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119438447
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-3-ylacetamide
CID 4882227
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524
N-(4-iodophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 5103394
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30875277

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 2703428) is N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is HLVMUALABYTKFR-BLVKFPJESA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-6-3-4-9-19(12)17(25)22(18(26)21-19)11-16(24)20-15-8-5-7-14(10-15)13(2)23/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,20,24)(H,21,26)/t12-,19+/m1/s1.
What are the key properties of N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 2703428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).