3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide

C13H16N2O — CID 82127044

IUPAC3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C#N)CC(=O)N(C)C)cc1
InChIInChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)12(9-14)8-13(16)15(2)3/h4-7,12H,8H2,1-3H3
InChIKeyBWQINQGPRITIHY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.08
Rot. Bonds3

About 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide

3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide (PubChem CID 82127044) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide
PubChem CID82127044
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C#N)CC(=O)N(C)C)cc1
InChIInChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)12(9-14)8-13(16)15(2)3/h4-7,12H,8H2,1-3H3
InChIKeyBWQINQGPRITIHY-UHFFFAOYSA-N
XLogP2.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
CID 82130381
N-butyl-3-cyano-N-methyl-3-(4-methylphenyl)propanamide
CID 112511575
cyclopropyl (3S)-3-cyano-3-(4-methylphenyl)propanoate
CID 178074574
ethyl 3-cyano-3-[4-(dimethylamino)phenyl]propanoate
CID 112508604
3-(2-chlorophenyl)-3-cyano-N,N-dimethylpropanamide
CID 82129603
ethyl 3-(4-chlorophenyl)-3-cyanopropanoate
CID 13074184
2-(4-methylphenyl)pentanenitrile
CID 82074843
N-butyl-3-cyano-N-methyl-3-phenylpropanamide
CID 112511367
N-[cyano-(4-methylphenyl)methyl]-N-methylbutanamide
CID 82115689
N-butyl-3-cyano-N-methyl-3-(3-methylphenyl)propanamide
CID 112511573
3-cyano-3-phenyl-N,N-di(propan-2-yl)propanamide;3-cyano-3-phenylpropanoic acid
CID 159488647
ethyl (2S)-2-cyano-2-(4-methylphenyl)acetate
CID 13004220

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide (CID 82127044) is 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide is Cc1ccc(C(C#N)CC(=O)N(C)C)cc1.
What is the InChIKey of 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide?
The InChIKey is BWQINQGPRITIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)12(9-14)8-13(16)15(2)3/h4-7,12H,8H2,1-3H3.
What are the key properties of 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide?
3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide has a molecular weight of 216.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-dimethyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 82127044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).