2-cyano-N-ethyl-N-(4-methylphenyl)propanamide

C13H16N2O — CID 55207914

IUPAC2-cyano-N-ethyl-N-(4-methylphenyl)propanamide
SMILESCCN(C(=O)C(C)C#N)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O/c1-4-15(13(16)11(3)9-14)12-7-5-10(2)6-8-12/h5-8,11H,4H2,1-3H3
InChIKeyBKFTWPRQFZMUGK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.51
Rot. Bonds3

About 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide

2-cyano-N-ethyl-N-(4-methylphenyl)propanamide (PubChem CID 55207914) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-(4-methylphenyl)propanamide
PubChem CID55207914
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyano-N-ethyl-N-(4-methylphenyl)propanamide
SMILESCCN(C(=O)C(C)C#N)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O/c1-4-15(13(16)11(3)9-14)12-7-5-10(2)6-8-12/h5-8,11H,4H2,1-3H3
InChIKeyBKFTWPRQFZMUGK-UHFFFAOYSA-N
XLogP2.51
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
4-amino-N-ethyl-2-methyl-N-(4-methylphenyl)butanamide
CID 80543945
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
3-bromo-N-ethyl-N-(4-methylphenyl)prop-2-ynamide
CID 130707368
3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
CID 62876984
N-ethyl-2-hydroxy-2-(4-methylphenyl)-N-phenylacetamide
CID 82134297
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide
CID 62002328
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide (CID 55207914) is 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide is CCN(C(=O)C(C)C#N)c1ccc(C)cc1.
What is the InChIKey of 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide?
The InChIKey is BKFTWPRQFZMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-15(13(16)11(3)9-14)12-7-5-10(2)6-8-12/h5-8,11H,4H2,1-3H3.
What are the key properties of 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide?
2-cyano-N-ethyl-N-(4-methylphenyl)propanamide has a molecular weight of 216.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 55207914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).