2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide

C14H18N2O2 — CID 115174937

IUPAC2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide
SMILESCCc1ccc(OC)c(NC(=O)C(C)(C)C#N)c1
InChIInChI=1S/C14H18N2O2/c1-5-10-6-7-12(18-4)11(8-10)16-13(17)14(2,3)9-15/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyVVBNBSSUTFPGQR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.75
Rot. Bonds4

About 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide

2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide (PubChem CID 115174937) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide
PubChem CID115174937
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide
SMILESCCc1ccc(OC)c(NC(=O)C(C)(C)C#N)c1
InChIInChI=1S/C14H18N2O2/c1-5-10-6-7-12(18-4)11(8-10)16-13(17)14(2,3)9-15/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyVVBNBSSUTFPGQR-UHFFFAOYSA-N
XLogP2.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 115175101
3-cyano-N-(5-ethyl-2-methoxyphenyl)oxetane-3-carboxamide
CID 115184564
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
CID 82499428
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383
tert-butyl N-[5-(cyanomethyl)-2-methoxyphenyl]carbamate
CID 117410427
N-[2-amino-5-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-cyano-2-methylpropanamide
CID 143602922
N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide
CID 115187160
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide (CID 115174937) is 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide is CCc1ccc(OC)c(NC(=O)C(C)(C)C#N)c1.
What is the InChIKey of 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is VVBNBSSUTFPGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-10-6-7-12(18-4)11(8-10)16-13(17)14(2,3)9-15/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide?
2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 115174937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).