2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide

C16H22N2O — CID 115188667

IUPAC2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc(CCN(C)C(=O)C(C#N)C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-12(2)15(11-17)16(19)18(4)10-9-14-7-5-13(3)6-8-14/h5-8,12,15H,9-10H2,1-4H3
InChIKeyGXCNPNSHUXEDEK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.79
Rot. Bonds5

About 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide

2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide (PubChem CID 115188667) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
PubChem CID115188667
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide
SMILESCc1ccc(CCN(C)C(=O)C(C#N)C(C)C)cc1
InChIInChI=1S/C16H22N2O/c1-12(2)15(11-17)16(19)18(4)10-9-14-7-5-13(3)6-8-14/h5-8,12,15H,9-10H2,1-4H3
InChIKeyGXCNPNSHUXEDEK-UHFFFAOYSA-N
XLogP2.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]formamide
CID 115172601
N-[2-(5-bromo-2-methylphenyl)ethyl]-2-cyano-N,3-dimethylbutanamide
CID 115188674
2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180130
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668214
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
(3S)-4-methyl-3-[methyl-[2-(4-methylphenyl)ethyl]amino]pentan-2-one
CID 129091921
2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 55208173
N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
methyl 2-[methyl-[2-(4-methylphenyl)ethyl]amino]-2-oxoacetate
CID 115142592
N-methyl-N-[2-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 115191266
3-cyano-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 112516763
(E)-4-[methyl-[2-(4-methylphenyl)ethyl]amino]-4-oxobut-2-enoic acid
CID 115177304

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide (CID 115188667) is 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide is Cc1ccc(CCN(C)C(=O)C(C#N)C(C)C)cc1.
What is the InChIKey of 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide?
The InChIKey is GXCNPNSHUXEDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)15(11-17)16(19)18(4)10-9-14-7-5-13(3)6-8-14/h5-8,12,15H,9-10H2,1-4H3.
What are the key properties of 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide?
2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide has a molecular weight of 258.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 115188667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).