N-(3,4-dioxopentan-2-yl)-N-phenylacetamide

C13H15NO3 — CID 15339252

IUPACN-(3,4-dioxopentan-2-yl)-N-phenylacetamide
SMILESCC(=O)C(=O)C(C)N(C(C)=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-9(13(17)10(2)15)14(11(3)16)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyIMLNLVVTUHDQSN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.59
Rot. Bonds4

About N-(3,4-dioxopentan-2-yl)-N-phenylacetamide

N-(3,4-dioxopentan-2-yl)-N-phenylacetamide (PubChem CID 15339252) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3,4-dioxopentan-2-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(3,4-dioxopentan-2-yl)-N-phenylacetamide
PubChem CID15339252
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(3,4-dioxopentan-2-yl)-N-phenylacetamide
SMILESCC(=O)C(=O)C(C)N(C(C)=O)c1ccccc1
InChIInChI=1S/C13H15NO3/c1-9(13(17)10(2)15)14(11(3)16)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyIMLNLVVTUHDQSN-UHFFFAOYSA-N
XLogP1.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(N-acetylanilino)propanoic acid
CID 821173
benzyl N-(3,4-dioxopentan-2-yl)-N-phenylcarbamate
CID 15339251
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
S-prop-2-enyl 2-(N-acetylanilino)propanethioate
CID 88698684
(2S)-2-(N-acetyl-3-chloroanilino)propanoic acid
CID 150639121
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578
N-[2-(N-acetylanilino)-2-aminoethyl]acetamide
CID 57313825
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
(2S)-2-(N-(2,2-dichloroacetyl)anilino)propanoic acid;hydrochloride
CID 70542986
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
(2S)-2-(N-acetylanilino)-5-amino-5-oxopentanoic acid
CID 25232805
(2S)-2-[[(2S)-2-(N-acetylanilino)propanoyl]amino]-6-aminohexanoic acid;acetyl chloride
CID 53471676

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dioxopentan-2-yl)-N-phenylacetamide?
The IUPAC name of N-(3,4-dioxopentan-2-yl)-N-phenylacetamide (CID 15339252) is N-(3,4-dioxopentan-2-yl)-N-phenylacetamide.
What is the SMILES notation for N-(3,4-dioxopentan-2-yl)-N-phenylacetamide?
The canonical SMILES for N-(3,4-dioxopentan-2-yl)-N-phenylacetamide is CC(=O)C(=O)C(C)N(C(C)=O)c1ccccc1.
What is the InChIKey of N-(3,4-dioxopentan-2-yl)-N-phenylacetamide?
The InChIKey is IMLNLVVTUHDQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(13(17)10(2)15)14(11(3)16)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of N-(3,4-dioxopentan-2-yl)-N-phenylacetamide?
N-(3,4-dioxopentan-2-yl)-N-phenylacetamide has a molecular weight of 233.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dioxopentan-2-yl)-N-phenylacetamide is sourced from PubChem (CID 15339252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).