3-(4-cyanoanilino)-N-methylpropanamide

C11H13N3O — CID 60967721

IUPAC3-(4-cyanoanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(C#N)cc1
InChIInChI=1S/C11H13N3O/c1-13-11(15)6-7-14-10-4-2-9(8-12)3-5-10/h2-5,14H,6-7H2,1H3,(H,13,15)
InChIKeyOPSZHWJNOGULHH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.11
Rot. Bonds4

About 3-(4-cyanoanilino)-N-methylpropanamide

3-(4-cyanoanilino)-N-methylpropanamide (PubChem CID 60967721) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-methylpropanamide
PubChem CID60967721
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(4-cyanoanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(C#N)cc1
InChIInChI=1S/C11H13N3O/c1-13-11(15)6-7-14-10-4-2-9(8-12)3-5-10/h2-5,14H,6-7H2,1H3,(H,13,15)
InChIKeyOPSZHWJNOGULHH-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

N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
methyl 3-(4-cyanoanilino)propanoate
CID 43243076
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-methylpropanamide?
The IUPAC name of 3-(4-cyanoanilino)-N-methylpropanamide (CID 60967721) is 3-(4-cyanoanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-methylpropanamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-methylpropanamide is CNC(=O)CCNc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanoanilino)-N-methylpropanamide?
The InChIKey is OPSZHWJNOGULHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-11(15)6-7-14-10-4-2-9(8-12)3-5-10/h2-5,14H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-(4-cyanoanilino)-N-methylpropanamide?
3-(4-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-(4-cyanoanilino)-N-methylpropanamide is sourced from PubChem (CID 60967721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).