N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide

C15H20N2O2 — CID 112510695

IUPACN-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(C#N)c1ccc(OCC)cc1
InChIInChI=1S/C15H20N2O2/c1-4-6-15(18)17(3)14(11-16)12-7-9-13(10-8-12)19-5-2/h7-10,14H,4-6H2,1-3H3
InChIKeyRIFOLLFUCDEYET-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.91
Rot. Bonds6

About N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide

N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 112510695) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide
PubChem CID112510695
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(C#N)c1ccc(OCC)cc1
InChIInChI=1S/C15H20N2O2/c1-4-6-15(18)17(3)14(11-16)12-7-9-13(10-8-12)19-5-2/h7-10,14H,4-6H2,1-3H3
InChIKeyRIFOLLFUCDEYET-UHFFFAOYSA-N
XLogP2.91
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide
CID 82115689
3-[[cyano-(4-ethoxyphenyl)methyl]-propylamino]propanoic acid
CID 84757987
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
2-bromo-2-(4-ethoxyphenyl)acetonitrile
CID 83086822
2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
CID 66072555
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
2-[[cyano-(3-ethoxyphenyl)methyl]-methylamino]acetic acid
CID 84757529
2-(4-ethoxyphenyl)-3-methylpentanenitrile
CID 79445729
2-(4-bromophenyl)-3-(4-ethoxyphenyl)-3-oxopropanenitrile
CID 43334112
3-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216131
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
CID 56572588
4-[2-cyano-2-(4-ethoxyphenyl)ethyl]benzoic acid
CID 82139689

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide (CID 112510695) is N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide is CCCC(=O)N(C)C(C#N)c1ccc(OCC)cc1.
What is the InChIKey of N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is RIFOLLFUCDEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-6-15(18)17(3)14(11-16)12-7-9-13(10-8-12)19-5-2/h7-10,14H,4-6H2,1-3H3.
What are the key properties of N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide?
N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 112510695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).