2-(5-cyano-2-methylanilino)-N-ethylacetamide

C12H15N3O — CID 62059546

IUPAC2-(5-cyano-2-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(C#N)ccc1C
InChIInChI=1S/C12H15N3O/c1-3-14-12(16)8-15-11-6-10(7-13)5-4-9(11)2/h4-6,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyVWEXCRRAKQIKON-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.41
Rot. Bonds4

About 2-(5-cyano-2-methylanilino)-N-ethylacetamide

2-(5-cyano-2-methylanilino)-N-ethylacetamide (PubChem CID 62059546) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-cyano-2-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-cyano-2-methylanilino)-N-ethylacetamide
PubChem CID62059546
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-cyano-2-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(C#N)ccc1C
InChIInChI=1S/C12H15N3O/c1-3-14-12(16)8-15-11-6-10(7-13)5-4-9(11)2/h4-6,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyVWEXCRRAKQIKON-UHFFFAOYSA-N
XLogP1.41
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 47475196
3-(ethylamino)-4-methylbenzonitrile
CID 62105760
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
4-methyl-3-(2-methylidenebutylamino)benzonitrile
CID 66044026
2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
CID 62059710
ethyl 2-[(5-cyano-2-methylanilino)methyl]prop-2-enoate
CID 103248505
N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
CID 71919291
N-(2-cyanoethyl)-2-(2,5-dimethylanilino)acetamide
CID 28585854
N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
CID 62678428
3-[(3-hydroxy-2-methylpropyl)amino]-4-methylbenzonitrile
CID 115872017
2-amino-3-(5-cyano-2-methylanilino)propanoic acid
CID 103248485

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylanilino)-N-ethylacetamide?
The IUPAC name of 2-(5-cyano-2-methylanilino)-N-ethylacetamide (CID 62059546) is 2-(5-cyano-2-methylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(5-cyano-2-methylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(5-cyano-2-methylanilino)-N-ethylacetamide is CCNC(=O)CNc1cc(C#N)ccc1C.
What is the InChIKey of 2-(5-cyano-2-methylanilino)-N-ethylacetamide?
The InChIKey is VWEXCRRAKQIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-14-12(16)8-15-11-6-10(7-13)5-4-9(11)2/h4-6,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(5-cyano-2-methylanilino)-N-ethylacetamide?
2-(5-cyano-2-methylanilino)-N-ethylacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 62059546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).