3-(3-cyanoanilino)-N-methylpropanamide

C11H13N3O — CID 62324196

IUPAC3-(3-cyanoanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1cccc(C#N)c1
InChIInChI=1S/C11H13N3O/c1-13-11(15)5-6-14-10-4-2-3-9(7-10)8-12/h2-4,7,14H,5-6H2,1H3,(H,13,15)
InChIKeySTFWAIUXTQVFTH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.11
Rot. Bonds4

About 3-(3-cyanoanilino)-N-methylpropanamide

3-(3-cyanoanilino)-N-methylpropanamide (PubChem CID 62324196) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(3-cyanoanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-cyanoanilino)-N-methylpropanamide
PubChem CID62324196
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(3-cyanoanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1cccc(C#N)c1
InChIInChI=1S/C11H13N3O/c1-13-11(15)5-6-14-10-4-2-3-9(7-10)8-12/h2-4,7,14H,5-6H2,1H3,(H,13,15)
InChIKeySTFWAIUXTQVFTH-UHFFFAOYSA-N
XLogP1.11
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
N-butan-2-yl-3-(3-cyanoanilino)propanamide
CID 109013061
methyl 3-(3-cyanoanilino)propanoate;hydrochloride
CID 69208623
3-(3-cyanoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042830
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
3-(3-cyanophenyl)-N-methylpropanamide
CID 118907091
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647
3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022093

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoanilino)-N-methylpropanamide?
The IUPAC name of 3-(3-cyanoanilino)-N-methylpropanamide (CID 62324196) is 3-(3-cyanoanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(3-cyanoanilino)-N-methylpropanamide?
The canonical SMILES for 3-(3-cyanoanilino)-N-methylpropanamide is CNC(=O)CCNc1cccc(C#N)c1.
What is the InChIKey of 3-(3-cyanoanilino)-N-methylpropanamide?
The InChIKey is STFWAIUXTQVFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-11(15)5-6-14-10-4-2-3-9(7-10)8-12/h2-4,7,14H,5-6H2,1H3,(H,13,15).
What are the key properties of 3-(3-cyanoanilino)-N-methylpropanamide?
3-(3-cyanoanilino)-N-methylpropanamide has a molecular weight of 203.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoanilino)-N-methylpropanamide is sourced from PubChem (CID 62324196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).