3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide

C13H17N3O — CID 115341412

IUPAC3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide
SMILESCC(C#N)CNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C13H17N3O/c1-10(8-14)9-16-13(17)6-5-11-3-2-4-12(15)7-11/h2-4,7,10H,5-6,9,15H2,1H3,(H,16,17)
InChIKeyRPKYKSLIKFQIAG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds5

About 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide

3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide (PubChem CID 115341412) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide
PubChem CID115341412
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide
SMILESCC(C#N)CNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C13H17N3O/c1-10(8-14)9-16-13(17)6-5-11-3-2-4-12(15)7-11/h2-4,7,10H,5-6,9,15H2,1H3,(H,16,17)
InChIKeyRPKYKSLIKFQIAG-UHFFFAOYSA-N
XLogP1.48
TPSA78.91 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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanopropyl)-3-phenylpropanamide
CID 62651466
4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
CID 94262385
3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572
3-(3-aminophenyl)-N-cyanopropanamide
CID 115341549
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-[[3-(3-aminophenyl)propanoylamino]methyl]pentanoic acid
CID 115341508
4-[3-(3-aminophenyl)propanoylamino]-2-methylbutanoic acid
CID 115341605
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide (CID 115341412) is 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide is CC(C#N)CNC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide?
The InChIKey is RPKYKSLIKFQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(8-14)9-16-13(17)6-5-11-3-2-4-12(15)7-11/h2-4,7,10H,5-6,9,15H2,1H3,(H,16,17).
What are the key properties of 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide?
3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide is sourced from PubChem (CID 115341412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).