2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide

C16H19N3O2 — CID 63286555

IUPAC2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCOCCN(CCC#N)C(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-21-11-10-19(9-5-8-17)16(20)15(13-18)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,9-12H2,1H3
InChIKeyPMPQSCOAPUVUBS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds8

About 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide

2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide (PubChem CID 63286555) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
PubChem CID63286555
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCOCCN(CCC#N)C(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-21-11-10-19(9-5-8-17)16(20)15(13-18)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,9-12H2,1H3
InChIKeyPMPQSCOAPUVUBS-UHFFFAOYSA-N
XLogP1.76
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide
CID 63692537
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 104861606
2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81088238
2-methoxyethyl 4-[2-cyanoethyl(2-phenylethyl)amino]-4-oxobutanoate
CID 54790631
3-amino-N-(2-cyanoethyl)-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112850
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
2-[(2-amino-3-phenylpropanoyl)-(2-methoxyethyl)amino]acetic acid
CID 79269846
3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile
CID 62050074
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide (CID 63286555) is 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide is COCCN(CCC#N)C(=O)C(C#N)Cc1ccccc1.
What is the InChIKey of 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
The InChIKey is PMPQSCOAPUVUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-11-10-19(9-5-8-17)16(20)15(13-18)12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,9-12H2,1H3.
What are the key properties of 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide?
2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 63286555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).