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

C16H22N2O2 — CID 107853084

IUPAC2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C16H22N2O2/c1-4-16(5-2,12-17)15(19)18-10-9-13-7-6-8-14(11-13)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeySPRNGHWOCAAWDI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.68
Rot. Bonds7

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

2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide (PubChem CID 107853084) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide
PubChem CID107853084
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide
SMILESCCC(C#N)(CC)C(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C16H22N2O2/c1-4-16(5-2,12-17)15(19)18-10-9-13-7-6-8-14(11-13)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeySPRNGHWOCAAWDI-UHFFFAOYSA-N
XLogP2.68
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
2-carbamothioyl-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107854485
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
[2-cyano-2-(2-phenylethylcarbamoyl)butyl] acetate;ethane
CID 143830955
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide (CID 107853084) is 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide is CCC(C#N)(CC)C(=O)NCCc1cccc(OC)c1.
What is the InChIKey of 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide?
The InChIKey is SPRNGHWOCAAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(5-2,12-17)15(19)18-10-9-13-7-6-8-14(11-13)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide?
2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide has a molecular weight of 274.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-[2-(3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 107853084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).