2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide

C16H22N2O2 — CID 63692537

IUPAC2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide
SMILESCCOCCN(CC)C(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-18(10-11-20-4-2)16(19)15(13-17)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyNDKBWCCZLUFJJY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.25
Rot. Bonds8

About 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide

2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide (PubChem CID 63692537) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide
PubChem CID63692537
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide
SMILESCCOCCN(CC)C(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-18(10-11-20-4-2)16(19)15(13-17)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyNDKBWCCZLUFJJY-UHFFFAOYSA-N
XLogP2.25
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 63286555
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115985802
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
2-cyano-N,N-diethyl-3-[3-(2-isocyanatoethyl)phenyl]propanamide
CID 170263578
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088
3-(3-chlorophenyl)-2-cyano-N,N-dipropylpropanamide
CID 82139574
(2S)-2-cyano-3-phenylpropanoate
CID 6928308
4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
CID 63691274
N,N-diethyl-2-hydroxy-3-phenylpropanamide
CID 102481935
3-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide
CID 76924969

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide (CID 63692537) is 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide is CCOCCN(CC)C(=O)C(C#N)Cc1ccccc1.
What is the InChIKey of 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide?
The InChIKey is NDKBWCCZLUFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18(10-11-20-4-2)16(19)15(13-17)12-14-8-6-5-7-9-14/h5-9,15H,3-4,10-12H2,1-2H3.
What are the key properties of 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide?
2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 63692537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).