N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide

C14H18N2O4 — CID 88801983

IUPACN-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1ccccc1.NC(=O)C=O
InChIInChI=1S/C12H15NO2.C2H3NO2/c1-2-3-9-13-12(15)11(14)10-7-5-4-6-8-10;3-2(5)1-4/h4-8H,2-3,9H2,1H3,(H,13,15);1H,(H2,3,5)
InChIKeyLMFZZNKUANTBEW-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.46
Rot. Bonds6

About N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide

N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide (PubChem CID 88801983) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide
PubChem CID88801983
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1ccccc1.NC(=O)C=O
InChIInChI=1S/C12H15NO2.C2H3NO2/c1-2-3-9-13-12(15)11(14)10-7-5-4-6-8-10;3-2(5)1-4/h4-8H,2-3,9H2,1H3,(H,13,15);1H,(H2,3,5)
InChIKeyLMFZZNKUANTBEW-UHFFFAOYSA-N
XLogP0.46
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2290889
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CID 78795173
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CID 143156717
N'-butyl-2-phenylpropanediamide
CID 70180418
N-butyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 94263669
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
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N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
N-[(Z)-1-(4-bromophenyl)-3-(butylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2177079
N-[(E)-1-[4-[(E)-2-benzamido-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6367639
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
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N-octadec-9-enylbenzamide
CID 54554566

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide?
The IUPAC name of N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide (CID 88801983) is N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide.
What is the SMILES notation for N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide?
The canonical SMILES for N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide is CCCCNC(=O)C(=O)c1ccccc1.NC(=O)C=O.
What is the InChIKey of N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide?
The InChIKey is LMFZZNKUANTBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C2H3NO2/c1-2-3-9-13-12(15)11(14)10-7-5-4-6-8-10;3-2(5)1-4/h4-8H,2-3,9H2,1H3,(H,13,15);1H,(H2,3,5).
What are the key properties of N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide?
N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide has a molecular weight of 278.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide is sourced from PubChem (CID 88801983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).