3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide

C15H19NO3 — CID 51058470

IUPAC3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide
SMILESCCC(=O)c1ccc(NC(=O)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H19NO3/c1-5-12(17)10-6-8-11(9-7-10)16-14(19)13(18)15(2,3)4/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyHGNANBOHPGDMPQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.83
Rot. Bonds4

About 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide

3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide (PubChem CID 51058470) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide
PubChem CID51058470
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide
SMILESCCC(=O)c1ccc(NC(=O)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H19NO3/c1-5-12(17)10-6-8-11(9-7-10)16-14(19)13(18)15(2,3)4/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyHGNANBOHPGDMPQ-UHFFFAOYSA-N
XLogP2.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
CID 51058469
(4-propanoylphenyl)carbamic acid
CID 122623771
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
2-(4-propanoylanilino)-N-propan-2-ylacetamide
CID 114066654
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]propan-1-one
CID 106257829
1-[4-[(4-hydroxy-2,2-dimethylbutyl)amino]phenyl]propan-1-one
CID 114150228
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
1-[4-(2-methylbutan-2-yl)phenyl]propan-1-one
CID 19870051
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650
2-(4-propanoylanilino)ethyl carbamate
CID 114066714

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide (CID 51058470) is 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide is CCC(=O)c1ccc(NC(=O)C(=O)C(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide?
The InChIKey is HGNANBOHPGDMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-12(17)10-6-8-11(9-7-10)16-14(19)13(18)15(2,3)4/h6-9H,5H2,1-4H3,(H,16,19).
What are the key properties of 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide?
3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide is sourced from PubChem (CID 51058470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).