2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide

C15H20N2O2 — CID 115188455

IUPAC2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)CCc1ccccc1OC
InChIInChI=1S/C15H20N2O2/c1-4-12(11-16)15(18)17(2)10-9-13-7-5-6-8-14(13)19-3/h5-8,12H,4,9-10H2,1-3H3
InChIKeyCHSKZDHXPOEWGR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds6

About 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide

2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide (PubChem CID 115188455) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
PubChem CID115188455
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)CCc1ccccc1OC
InChIInChI=1S/C15H20N2O2/c1-4-12(11-16)15(18)17(2)10-9-13-7-5-6-8-14(13)19-3/h5-8,12H,4,9-10H2,1-3H3
InChIKeyCHSKZDHXPOEWGR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
CID 115172715
N-[2-(2-methoxyphenyl)ethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119776514
2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115188457
N-[2-(2-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84512305
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
2-(3-ethyl-4-methoxybenzoyl)butanenitrile
CID 116923692
2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
CID 115188196
3-amino-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 119121687
2-cyano-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylbutanamide
CID 115188435
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86892040

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide (CID 115188455) is 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide is CCC(C#N)C(=O)N(C)CCc1ccccc1OC.
What is the InChIKey of 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The InChIKey is CHSKZDHXPOEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-12(11-16)15(18)17(2)10-9-13-7-5-6-8-14(13)19-3/h5-8,12H,4,9-10H2,1-3H3.
What are the key properties of 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115188455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).