2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide

C14H18N2O2 — CID 115188126

IUPAC2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
SMILESCCOc1ccc(NC(=O)C(C#N)CC)cc1C
InChIInChI=1S/C14H18N2O2/c1-4-11(9-15)14(17)16-12-6-7-13(18-5-2)10(3)8-12/h6-8,11H,4-5H2,1-3H3,(H,16,17)
InChIKeyNWUGAUHLYYESON-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.88
Rot. Bonds5

About 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide

2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide (PubChem CID 115188126) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
PubChem CID115188126
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
SMILESCCOc1ccc(NC(=O)C(C#N)CC)cc1C
InChIInChI=1S/C14H18N2O2/c1-4-11(9-15)14(17)16-12-6-7-13(18-5-2)10(3)8-12/h6-8,11H,4-5H2,1-3H3,(H,16,17)
InChIKeyNWUGAUHLYYESON-UHFFFAOYSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
3-amino-4-(4-ethoxy-3-methylanilino)-4-oxobutanoic acid
CID 115181227
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
N-(4-ethoxy-3-methylphenyl)-2-(2-fluorophenyl)propanamide
CID 86902867
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
2-cyano-N-(3-hydroxyphenyl)butanamide
CID 107857394
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
2-cyano-N-(3-methylsulfanylphenyl)butanamide
CID 55207141
N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
CID 115171854

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide?
The IUPAC name of 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide (CID 115188126) is 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide.
What is the SMILES notation for 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide?
The canonical SMILES for 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide is CCOc1ccc(NC(=O)C(C#N)CC)cc1C.
What is the InChIKey of 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide?
The InChIKey is NWUGAUHLYYESON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-11(9-15)14(17)16-12-6-7-13(18-5-2)10(3)8-12/h6-8,11H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide?
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide has a molecular weight of 246.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide is sourced from PubChem (CID 115188126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).