2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide

C16H21N3O2 — CID 62878774

IUPAC2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-4-10-19(12-15(20)18(2)3)16(21)14(11-17)13-8-6-5-7-9-13/h5-9,14H,4,10,12H2,1-3H3
InChIKeyRVYVAOXJEFHWLB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.62
Rot. Bonds6

About 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide

2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide (PubChem CID 62878774) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
PubChem CID62878774
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-4-10-19(12-15(20)18(2)3)16(21)14(11-17)13-8-6-5-7-9-13/h5-9,14H,4,10,12H2,1-3H3
InChIKeyRVYVAOXJEFHWLB-UHFFFAOYSA-N
XLogP1.62
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068
2-cyano-N-methyl-N-pentyl-2-phenylacetamide
CID 62877008
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
4-(dipentylamino)-3-oxo-2-phenylbutanenitrile
CID 19245457
2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
CID 61042461
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479516
2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81056043
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 104897454
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 47356566

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide?
The IUPAC name of 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide (CID 62878774) is 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide?
The canonical SMILES for 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide is CCCN(CC(=O)N(C)C)C(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide?
The InChIKey is RVYVAOXJEFHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-10-19(12-15(20)18(2)3)16(21)14(11-17)13-8-6-5-7-9-13/h5-9,14H,4,10,12H2,1-3H3.
What are the key properties of 2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide?
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide has a molecular weight of 287.36 g/mol, XLogP of 1.62, 6 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]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 62878774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).