2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide

C16H23N3O — CID 78822383

IUPAC2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N(C)CCC#N
InChIInChI=1S/C16H23N3O/c1-4-19(5-2)16(20)15(18(3)13-9-12-17)14-10-7-6-8-11-14/h6-8,10-11,15H,4-5,9,13H2,1-3H3
InChIKeyDVNHAKFSOSKZNR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.44
Rot. Bonds7

About 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide

2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide (PubChem CID 78822383) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide
PubChem CID78822383
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N(C)CCC#N
InChIInChI=1S/C16H23N3O/c1-4-19(5-2)16(20)15(18(3)13-9-12-17)14-10-7-6-8-11-14/h6-8,10-11,15H,4-5,9,13H2,1-3H3
InChIKeyDVNHAKFSOSKZNR-UHFFFAOYSA-N
XLogP2.44
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
CID 97329844
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
N-(2-cyanoethyl)-N-(1-phenylpropan-2-yl)acetamide
CID 6421727
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
CID 54997695
(2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide
CID 9043137
2-cyanoethyl(ethyl)carbamic acid
CID 18786016
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
(2R)-2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-phenylacetic acid
CID 122069472
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide (CID 78822383) is 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N(C)CCC#N.
What is the InChIKey of 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide?
The InChIKey is DVNHAKFSOSKZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19(5-2)16(20)15(18(3)13-9-12-17)14-10-7-6-8-11-14/h6-8,10-11,15H,4-5,9,13H2,1-3H3.
What are the key properties of 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide?
2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide has a molecular weight of 273.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 78822383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).