2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide

C15H20N2O2 — CID 115175101

IUPAC2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCCc1cc(CNC(=O)C(C)(C)C#N)ccc1OC
InChIInChI=1S/C15H20N2O2/c1-5-12-8-11(6-7-13(12)19-4)9-17-14(18)15(2,3)10-16/h6-8H,5,9H2,1-4H3,(H,17,18)
InChIKeyJIUCZNITUGRINI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.42
Rot. Bonds5

About 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide

2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 115175101) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide
PubChem CID115175101
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCCc1cc(CNC(=O)C(C)(C)C#N)ccc1OC
InChIInChI=1S/C15H20N2O2/c1-5-12-8-11(6-7-13(12)19-4)9-17-14(18)15(2,3)10-16/h6-8H,5,9H2,1-4H3,(H,17,18)
InChIKeyJIUCZNITUGRINI-UHFFFAOYSA-N
XLogP2.42
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide
CID 115175104
2-cyano-N-(5-ethyl-2-methoxyphenyl)-2-methylpropanamide
CID 115174937
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide
CID 115191824
N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide
CID 96660374
2-cyano-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropanamide
CID 115175082
N-[(3-amino-4-methoxyphenyl)methyl]-2,2-dimethylbutanamide
CID 62678934
2-cyano-N-[(3-cyanophenyl)methyl]-2-methylpropanamide
CID 61059964
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
2-hydroxy-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 115178740
N-tert-butyl-N'-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108965097
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165703

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide (CID 115175101) is 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide is CCc1cc(CNC(=O)C(C)(C)C#N)ccc1OC.
What is the InChIKey of 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is JIUCZNITUGRINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-12-8-11(6-7-13(12)19-4)9-17-14(18)15(2,3)10-16/h6-8H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide?
2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-ethyl-4-methoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 115175101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).