2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide

C14H18N2O2 — CID 114009269

IUPAC2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCC(C#N)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H18N2O2/c1-3-12(10-15)14(17)16-8-7-11-5-4-6-13(9-11)18-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyXIPLPNKETJNUIQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.90
Rot. Bonds6

About 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide

2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide (PubChem CID 114009269) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
PubChem CID114009269
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCC(C#N)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C14H18N2O2/c1-3-12(10-15)14(17)16-8-7-11-5-4-6-13(9-11)18-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyXIPLPNKETJNUIQ-UHFFFAOYSA-N
XLogP1.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-phenylethyl)butanamide
CID 55207760
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 107853084
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide (CID 114009269) is 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide is CCC(C#N)C(=O)NCCc1cccc(OC)c1.
What is the InChIKey of 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The InChIKey is XIPLPNKETJNUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-12(10-15)14(17)16-8-7-11-5-4-6-13(9-11)18-2/h4-6,9,12H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide?
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide has a molecular weight of 246.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 114009269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).