2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide

C14H17N3O2 — CID 62877874

IUPAC2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
SMILESCN(C)C(=O)CN(C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-16(2)13(18)10-17(3)14(19)12(9-15)11-7-5-4-6-8-11/h4-8,12H,10H2,1-3H3
InChIKeyIOVBIBXLZANXFY-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.84
Rot. Bonds4

About 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide

2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide (PubChem CID 62877874) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
PubChem CID62877874
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
SMILESCN(C)C(=O)CN(C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-16(2)13(18)10-17(3)14(19)12(9-15)11-7-5-4-6-8-11/h4-8,12H,10H2,1-3H3
InChIKeyIOVBIBXLZANXFY-UHFFFAOYSA-N
XLogP0.84
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
2-cyano-N-methyl-N-pentyl-2-phenylacetamide
CID 62877008
2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81056043
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenoxy-2-phenylacetamide
CID 94818236
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-hydroxyimino-N-methyl-2-phenylpropanamide
CID 76975466
(2R)-4-[benzyl(methyl)amino]-3-oxo-2-phenylbutanenitrile
CID 2337612
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068
(2R)-2-cyclopentyloxy-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 95601607
(2R)-4-[cyclohexyl(methyl)amino]-3-oxo-2-phenylbutanenitrile
CID 2333029
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 62879005

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide (CID 62877874) is 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide is CN(C)C(=O)CN(C)C(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide?
The InChIKey is IOVBIBXLZANXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16(2)13(18)10-17(3)14(19)12(9-15)11-7-5-4-6-8-11/h4-8,12H,10H2,1-3H3.
What are the key properties of 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide?
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide has a molecular weight of 259.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 62877874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).