2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide

C14H19N3O — CID 55024751

IUPAC2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccc(CC#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)17(3)14(18)10-16-13-6-4-12(5-7-13)8-9-15/h4-7,11,16H,8,10H2,1-3H3
InChIKeyOZXYJHBQFDOVNQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.03
Rot. Bonds5

About 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide

2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 55024751) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
PubChem CID55024751
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccc(CC#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)17(3)14(18)10-16-13-6-4-12(5-7-13)8-9-15/h4-7,11,16H,8,10H2,1-3H3
InChIKeyOZXYJHBQFDOVNQ-UHFFFAOYSA-N
XLogP2.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 28579520
2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide
CID 62302192
2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877
2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 54936321
2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28580926
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
3-[4-(cyanomethyl)anilino]propanoic acid
CID 62301351
2-amino-3-[4-(cyanomethyl)anilino]propanoic acid
CID 103248146
2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
CID 107804405
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 60690595
2-(5-bromo-2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107797925

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide (CID 55024751) is 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is OZXYJHBQFDOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17(3)14(18)10-16-13-6-4-12(5-7-13)8-9-15/h4-7,11,16H,8,10H2,1-3H3.
What are the key properties of 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide?
2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 55024751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).