N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide

C18H18N2O3 — CID 134105964

IUPACN-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
SMILESCC(=O)NC(NC(C)=O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(21)19-18(20-14(2)22,16-11-7-4-8-12-16)17(23)15-9-5-3-6-10-15/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyNUSRJSJFWUMJCI-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.99
Rot. Bonds5

About N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide

N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide (PubChem CID 134105964) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide.

Molecular Properties

Compound NameN-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
PubChem CID134105964
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
SMILESCC(=O)NC(NC(C)=O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(21)19-18(20-14(2)22,16-11-7-4-8-12-16)17(23)15-9-5-3-6-10-15/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyNUSRJSJFWUMJCI-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-chloro-1,2,2-triphenylethanone
CID 11301235
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
1-phenylethanone;2,2,2-tribromo-1-phenylethanone
CID 23466177
N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
CID 102237864
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
Lithium benzoate, 99%
CID 57451198
3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium
CID 134873528
2,2-difluoro-1-phenylbutane-1,3-dione
CID 14793037

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide?
The IUPAC name of N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide (CID 134105964) is N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide.
What is the SMILES notation for N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide?
The canonical SMILES for N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide is CC(=O)NC(NC(C)=O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide?
The InChIKey is NUSRJSJFWUMJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(21)19-18(20-14(2)22,16-11-7-4-8-12-16)17(23)15-9-5-3-6-10-15/h3-12H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide?
N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide is sourced from PubChem (CID 134105964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).