molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide

C12H17NO2 — CID 144547081

IUPACmolecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide
SMILESCCC(=O)CNC(=O)Cc1ccccc1.[H][H]
InChIInChI=1S/C12H15NO2.H2/c1-2-11(14)9-13-12(15)8-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3,(H,13,15);1H
InChIKeyIRWORVBZQWDJDF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.57
Rot. Bonds5

About molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide

molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide (PubChem CID 144547081) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide
PubChem CID144547081
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemolecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide
SMILESCCC(=O)CNC(=O)Cc1ccccc1.[H][H]
InChIInChI=1S/C12H15NO2.H2/c1-2-11(14)9-13-12(15)8-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3,(H,13,15);1H
InChIKeyIRWORVBZQWDJDF-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-ethyl-2-phenylacetamide;molecular hydrogen
CID 167457544
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
methylphosphane;N-(2-oxopropyl)-2-phenylacetamide
CID 161423403
2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene
CID 176986674
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
N-benzyl-3-oxopentanamide
CID 10632061
N-(2-bromoprop-2-enyl)-2-phenylacetamide
CID 115594657
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide?
The IUPAC name of molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide (CID 144547081) is molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide.
What is the SMILES notation for molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide?
The canonical SMILES for molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide is CCC(=O)CNC(=O)Cc1ccccc1.[H][H].
What is the InChIKey of molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide?
The InChIKey is IRWORVBZQWDJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.H2/c1-2-11(14)9-13-12(15)8-10-6-4-3-5-7-10;/h3-7H,2,8-9H2,1H3,(H,13,15);1H.
What are the key properties of molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide?
molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide is sourced from PubChem (CID 144547081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).