2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide

C14H19N3O — CID 107804405

IUPAC2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCc1cccc(NCC(=O)N(C)C(C)C)c1C#N
InChIInChI=1S/C14H19N3O/c1-10(2)17(4)14(18)9-16-13-7-5-6-11(3)12(13)8-15/h5-7,10,16H,9H2,1-4H3
InChIKeyJSHFVIOJZADJGI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.15
Rot. Bonds4

About 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide

2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide (PubChem CID 107804405) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
PubChem CID107804405
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCc1cccc(NCC(=O)N(C)C(C)C)c1C#N
InChIInChI=1S/C14H19N3O/c1-10(2)17(4)14(18)9-16-13-7-5-6-11(3)12(13)8-15/h5-7,10,16H,9H2,1-4H3
InChIKeyJSHFVIOJZADJGI-UHFFFAOYSA-N
XLogP2.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28580926
methyl 2-(2-cyano-3-methylanilino)acetate
CID 107799414
2-(2,3-dichloroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28774942
2-(2-cyano-3-methylanilino)-N-(3-methylphenyl)acetamide
CID 107804495
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
2-(5-bromo-2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107797925
3-(2-cyano-3-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 107799451
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804329
N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804330
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide
CID 107804289

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide (CID 107804405) is 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide is Cc1cccc(NCC(=O)N(C)C(C)C)c1C#N.
What is the InChIKey of 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is JSHFVIOJZADJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)17(4)14(18)9-16-13-7-5-6-11(3)12(13)8-15/h5-7,10,16H,9H2,1-4H3.
What are the key properties of 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide?
2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 107804405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).