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

C15H20N2O2 — CID 115188456

IUPAC2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)CCc1cccc(OC)c1
InChIInChI=1S/C15H20N2O2/c1-4-13(11-16)15(18)17(2)9-8-12-6-5-7-14(10-12)19-3/h5-7,10,13H,4,8-9H2,1-3H3
InChIKeyKDMTXVANFMLMFH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds6

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

2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide (PubChem CID 115188456) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
PubChem CID115188456
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)CCc1cccc(OC)c1
InChIInChI=1S/C15H20N2O2/c1-4-13(11-16)15(18)17(2)9-8-12-6-5-7-14(10-12)19-3/h5-7,10,13H,4,8-9H2,1-3H3
InChIKeyKDMTXVANFMLMFH-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

2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide
CID 82115986
2-cyano-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylbutanamide
CID 115188435
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
CID 115142102
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 115162712
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152133
2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
CID 115188196
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide (CID 115188456) is 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide is CCC(C#N)C(=O)N(C)CCc1cccc(OC)c1.
What is the InChIKey of 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide?
The InChIKey is KDMTXVANFMLMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-13(11-16)15(18)17(2)9-8-12-6-5-7-14(10-12)19-3/h5-7,10,13H,4,8-9H2,1-3H3.
What are the key properties of 2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide?
2-cyano-N-[2-(3-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-(3-methoxyphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115188456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).