2-(3-cyanoanilino)-N-propylpropanamide

C13H17N3O — CID 43087365

IUPAC2-(3-cyanoanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cccc(C#N)c1
InChIInChI=1S/C13H17N3O/c1-3-7-15-13(17)10(2)16-12-6-4-5-11(8-12)9-14/h4-6,8,10,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyRDNBIHPTMDGVKR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.88
Rot. Bonds5

About 2-(3-cyanoanilino)-N-propylpropanamide

2-(3-cyanoanilino)-N-propylpropanamide (PubChem CID 43087365) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-propylpropanamide
PubChem CID43087365
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(3-cyanoanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cccc(C#N)c1
InChIInChI=1S/C13H17N3O/c1-3-7-15-13(17)10(2)16-12-6-4-5-11(8-12)9-14/h4-6,8,10,16H,3,7H2,1-2H3,(H,15,17)
InChIKeyRDNBIHPTMDGVKR-UHFFFAOYSA-N
XLogP1.88
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535
2-(3-cyano-4-nitroanilino)-N-propylpropanamide
CID 115500237
2-(5-cyano-2-nitroanilino)-N-propylpropanamide
CID 104713564
1-(3-cyanophenyl)-3-propylthiourea
CID 7941260
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
ethyl 2-(3-cyanoanilino)butanoate
CID 64667136
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
CID 25408581
2-(2-cyano-6-methylanilino)-N-propylpropanamide
CID 107106624
1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130608

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-propylpropanamide?
The IUPAC name of 2-(3-cyanoanilino)-N-propylpropanamide (CID 43087365) is 2-(3-cyanoanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-propylpropanamide?
The InChIKey is RDNBIHPTMDGVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-7-15-13(17)10(2)16-12-6-4-5-11(8-12)9-14/h4-6,8,10,16H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-cyanoanilino)-N-propylpropanamide?
2-(3-cyanoanilino)-N-propylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-propylpropanamide is sourced from PubChem (CID 43087365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).