4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide

C14H18N2O — CID 63960210

IUPAC4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-5-14(2,3)16(4)13(17)12-8-6-11(10-15)7-9-12/h6-9H,5H2,1-4H3
InChIKeyJJXYVVDMRQEMPC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.82
Rot. Bonds3

About 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide

4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide (PubChem CID 63960210) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
PubChem CID63960210
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-5-14(2,3)16(4)13(17)12-8-6-11(10-15)7-9-12/h6-9H,5H2,1-4H3
InChIKeyJJXYVVDMRQEMPC-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63958933
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-(2-aminoethyl)-4-cyano-N-methylbenzamide
CID 62681129
6-amino-N-methyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 63962079
4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 133384325
N-(4-cyanophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63981461
N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
CID 114105638
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
3-[(4-cyanobenzoyl)-ethylamino]propanoic acid
CID 54899068

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide (CID 63960210) is 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)N(C)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is JJXYVVDMRQEMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-5-14(2,3)16(4)13(17)12-8-6-11(10-15)7-9-12/h6-9H,5H2,1-4H3.
What are the key properties of 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide?
4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 230.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 63960210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).