4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide

C28H30N2O4 — CID 88616895

IUPAC4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide
SMILESCC(C)(C)C(=O)CC(=O)Nc1ccccc1.O=C(CC(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H13NO2.C13H17NO2/c17-14(12-7-3-1-4-8-12)11-15(18)16-13-9-5-2-6-10-13;1-13(2,3)11(15)9-12(16)14-10-7-5-4-6-8-10/h1-10H,11H2,(H,16,18);4-8H,9H2,1-3H3,(H,14,16)
InChIKeyGQJVOQSLTHHXJQ-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.53
Rot. Bonds7

About 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide

4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide (PubChem CID 88616895) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide.

Molecular Properties

Compound Name4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide
PubChem CID88616895
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide
SMILESCC(C)(C)C(=O)CC(=O)Nc1ccccc1.O=C(CC(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H13NO2.C13H17NO2/c17-14(12-7-3-1-4-8-12)11-15(18)16-13-9-5-2-6-10-13;1-13(2,3)11(15)9-12(16)14-10-7-5-4-6-8-10/h1-10H,11H2,(H,16,18);4-8H,9H2,1-3H3,(H,14,16)
InChIKeyGQJVOQSLTHHXJQ-UHFFFAOYSA-N
XLogP5.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 110483778
4-oxo-N,4-diphenylbutanamide
CID 825307
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
3-oxo-N-phenylbutanamide
CID 161275903
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
4,4-dimethyl-1-phenyl-3-sulfanylidenepentan-1-one
CID 21113703
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103871
5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103866
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide?
The IUPAC name of 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide (CID 88616895) is 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide.
What is the SMILES notation for 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide?
The canonical SMILES for 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide is CC(C)(C)C(=O)CC(=O)Nc1ccccc1.O=C(CC(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide?
The InChIKey is GQJVOQSLTHHXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2.C13H17NO2/c17-14(12-7-3-1-4-8-12)11-15(18)16-13-9-5-2-6-10-13;1-13(2,3)11(15)9-12(16)14-10-7-5-4-6-8-10/h1-10H,11H2,(H,16,18);4-8H,9H2,1-3H3,(H,14,16).
What are the key properties of 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide?
4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide has a molecular weight of 458.56 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-oxo-N-phenylpentanamide;3-oxo-N,3-diphenylpropanamide is sourced from PubChem (CID 88616895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).