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

C14H18N2O — CID 82115689

IUPACN-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(C#N)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O/c1-4-5-14(17)16(3)13(10-15)12-8-6-11(2)7-9-12/h6-9,13H,4-5H2,1-3H3
InChIKeyUETWJFBJAIFGFY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.82
Rot. Bonds4

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

N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide (PubChem CID 82115689) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide
PubChem CID82115689
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)C(C#N)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O/c1-4-5-14(17)16(3)13(10-15)12-8-6-11(2)7-9-12/h6-9,13H,4-5H2,1-3H3
InChIKeyUETWJFBJAIFGFY-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(4-ethoxyphenyl)methyl]-N-methylbutanamide
CID 112510695
N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide
CID 82113915
2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
CID 84756866
ethyl (2S)-2-cyano-2-(4-methylphenyl)acetate
CID 13004220
3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide
CID 82127044
N-butyl-3-cyano-N-methyl-3-(4-methylphenyl)propanamide
CID 112511575
ethyl 3-[[(4-chlorophenyl)-cyanomethyl]-methylamino]propanoate
CID 84748208
2-(4-methylphenyl)-3-oxopentanenitrile
CID 11074143
2-(4-methylphenyl)-3-oxododecanenitrile
CID 65428253
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
2-(4-methylphenyl)hexan-3-one
CID 83047098
2-(4-butanoylpiperazin-1-yl)-2-(4-methylphenyl)acetonitrile
CID 110349765

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide?
The IUPAC name of N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide (CID 82115689) is N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide is CCCC(=O)N(C)C(C#N)c1ccc(C)cc1.
What is the InChIKey of N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide?
The InChIKey is UETWJFBJAIFGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-5-14(17)16(3)13(10-15)12-8-6-11(2)7-9-12/h6-9,13H,4-5H2,1-3H3.
What are the key properties of N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide?
N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide has a molecular weight of 230.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 82115689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).