(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide

C16H22N2O — CID 97329844

IUPAC(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
SMILESCCN(CCC#N)C(=O)[C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C16H22N2O/c1-4-18(12-8-11-17)16(19)15(13(2)3)14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,12H2,1-3H3/t15-/m1/s1
InChIKeyMAMIMNTUYZZKSC-OAHLLOKOSA-N
MW258.37 g/mol
LogP3.19
Rot. Bonds6

About (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide

(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide (PubChem CID 97329844) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
PubChem CID97329844
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide
SMILESCCN(CCC#N)C(=O)[C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C16H22N2O/c1-4-18(12-8-11-17)16(19)15(13(2)3)14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,12H2,1-3H3/t15-/m1/s1
InChIKeyMAMIMNTUYZZKSC-OAHLLOKOSA-N
XLogP3.19
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide
CID 78822383
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
CID 79012369
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
CID 110316778
2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
CID 43245519
2-cyanoethyl(ethyl)carbamic acid
CID 18786016
2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
CID 61021604
N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309842
(2R)-2-[[2-cyanoethyl(ethyl)sulfamoyl]amino]-2-phenylacetic acid
CID 122069472
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide?
The IUPAC name of (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide (CID 97329844) is (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide?
The canonical SMILES for (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide is CCN(CCC#N)C(=O)[C@@H](c1ccccc1)C(C)C.
What is the InChIKey of (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide?
The InChIKey is MAMIMNTUYZZKSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-18(12-8-11-17)16(19)15(13(2)3)14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,12H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide?
(2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide has a molecular weight of 258.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanoethyl)-N-ethyl-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 97329844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).