2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide

C14H18N2O2 — CID 114291390

IUPAC2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O2/c1-5-14(2,10-15)13(17)16(3)11-6-8-12(18-4)9-7-11/h6-9H,5H2,1-4H3
InChIKeyNQXHHUYNJGOADY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.60
Rot. Bonds4

About 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide

2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide (PubChem CID 114291390) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide
PubChem CID114291390
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C#N)C(=O)N(C)c1ccc(OC)cc1
InChIInChI=1S/C14H18N2O2/c1-5-14(2,10-15)13(17)16(3)11-6-8-12(18-4)9-7-11/h6-9H,5H2,1-4H3
InChIKeyNQXHHUYNJGOADY-UHFFFAOYSA-N
XLogP2.60
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(3-fluorophenyl)-N,2-dimethylbutanamide
CID 113270323
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
CID 114105638
2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370
2-cyano-N-ethyl-N-(4-fluorophenyl)-2-methylbutanamide
CID 114291393
2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 82546856
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112827984
4-[(2-methoxy-2-methylbutanoyl)-methylamino]benzoic acid
CID 114105321

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide (CID 114291390) is 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide is CCC(C)(C#N)C(=O)N(C)c1ccc(OC)cc1.
What is the InChIKey of 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide?
The InChIKey is NQXHHUYNJGOADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-14(2,10-15)13(17)16(3)11-6-8-12(18-4)9-7-11/h6-9H,5H2,1-4H3.
What are the key properties of 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide?
2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methoxyphenyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 114291390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).