3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide

C18H19N3O — CID 109036006

IUPAC3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccccc2C#N)c1C
InChIInChI=1S/C18H19N3O/c1-13-6-5-9-16(14(13)2)21-18(22)10-11-20-17-8-4-3-7-15(17)12-19/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyFWUDUGHBKSSQQG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds5

About 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide

3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 109036006) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
PubChem CID109036006
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccccc2C#N)c1C
InChIInChI=1S/C18H19N3O/c1-13-6-5-9-16(14(13)2)21-18(22)10-11-20-17-8-4-3-7-15(17)12-19/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyFWUDUGHBKSSQQG-UHFFFAOYSA-N
XLogP3.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036090
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide
CID 109042155
3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
CID 109039534
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
3-(4-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035942
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
2-[[3-(2-cyanoanilino)-3-oxopropyl]amino]-2-methylpropanoic acid
CID 65263681

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide (CID 109036006) is 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCNc2ccccc2C#N)c1C.
What is the InChIKey of 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is FWUDUGHBKSSQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-6-5-9-16(14(13)2)21-18(22)10-11-20-17-8-4-3-7-15(17)12-19/h3-9,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide?
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 109036006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).