N-(2,3-diacetylphenyl)propanamide

C13H15NO3 — CID 176967428

IUPACN-(2,3-diacetylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(C(C)=O)c1C(C)=O
InChIInChI=1S/C13H15NO3/c1-4-12(17)14-11-7-5-6-10(8(2)15)13(11)9(3)16/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyAEEQJAGFFRCLFE-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.44
Rot. Bonds4

About N-(2,3-diacetylphenyl)propanamide

N-(2,3-diacetylphenyl)propanamide (PubChem CID 176967428) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2,3-diacetylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3-diacetylphenyl)propanamide
PubChem CID176967428
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(2,3-diacetylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(C(C)=O)c1C(C)=O
InChIInChI=1S/C13H15NO3/c1-4-12(17)14-11-7-5-6-10(8(2)15)13(11)9(3)16/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyAEEQJAGFFRCLFE-UHFFFAOYSA-N
XLogP2.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-diacetylphenyl)propanamide;ethane;7-ethenyl-8-methyldecan-4-one
CID 176967427
N-(2-acetamidophenyl)propanamide
CID 885895
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
N-(2,3-diethylphenyl)propanamide
CID 142121633
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]propanamide
CID 107800793
ethyl 2-(propanoylamino)benzoate
CID 4190428
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
N-(3-bromo-2-fluorophenyl)propanamide
CID 167203980

Frequently Asked Questions

What is the IUPAC name of N-(2,3-diacetylphenyl)propanamide?
The IUPAC name of N-(2,3-diacetylphenyl)propanamide (CID 176967428) is N-(2,3-diacetylphenyl)propanamide.
What is the SMILES notation for N-(2,3-diacetylphenyl)propanamide?
The canonical SMILES for N-(2,3-diacetylphenyl)propanamide is CCC(=O)Nc1cccc(C(C)=O)c1C(C)=O.
What is the InChIKey of N-(2,3-diacetylphenyl)propanamide?
The InChIKey is AEEQJAGFFRCLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-12(17)14-11-7-5-6-10(8(2)15)13(11)9(3)16/h5-7H,4H2,1-3H3,(H,14,17).
What are the key properties of N-(2,3-diacetylphenyl)propanamide?
N-(2,3-diacetylphenyl)propanamide has a molecular weight of 233.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-diacetylphenyl)propanamide is sourced from PubChem (CID 176967428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).