2-(4-amino-N-propylanilino)propanamide

C12H19N3O — CID 63233906

IUPAC2-(4-amino-N-propylanilino)propanamide
SMILESCCCN(c1ccc(N)cc1)C(C)C(N)=O
InChIInChI=1S/C12H19N3O/c1-3-8-15(9(2)12(14)16)11-6-4-10(13)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H2,14,16)
InChIKeyIZKONDGRHPBPAM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.36
Rot. Bonds5

About 2-(4-amino-N-propylanilino)propanamide

2-(4-amino-N-propylanilino)propanamide (PubChem CID 63233906) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)propanamide.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)propanamide
PubChem CID63233906
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(4-amino-N-propylanilino)propanamide
SMILESCCCN(c1ccc(N)cc1)C(C)C(N)=O
InChIInChI=1S/C12H19N3O/c1-3-8-15(9(2)12(14)16)11-6-4-10(13)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H2,14,16)
InChIKeyIZKONDGRHPBPAM-UHFFFAOYSA-N
XLogP1.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
CID 63233816
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
CID 63233776
2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 63233777
2-[(4-aminophenyl)methyl-propylamino]propanamide
CID 43459613
(2S)-2-(N-octylanilino)propanamide
CID 138373855
(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 143204775
3-(N-(1-amino-1-oxopropan-2-yl)-4-methylanilino)propanoic acid
CID 60838715
(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
CID 125045091
(2R)-2-(4-methoxy-N-propylanilino)propanoic acid
CID 125045208
2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
CID 43275941
2-[(5-formylfuran-2-yl)-propylamino]propanamide
CID 123565805

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propylanilino)propanamide?
The IUPAC name of 2-(4-amino-N-propylanilino)propanamide (CID 63233906) is 2-(4-amino-N-propylanilino)propanamide.
What is the SMILES notation for 2-(4-amino-N-propylanilino)propanamide?
The canonical SMILES for 2-(4-amino-N-propylanilino)propanamide is CCCN(c1ccc(N)cc1)C(C)C(N)=O.
What is the InChIKey of 2-(4-amino-N-propylanilino)propanamide?
The InChIKey is IZKONDGRHPBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-8-15(9(2)12(14)16)11-6-4-10(13)5-7-11/h4-7,9H,3,8,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-(4-amino-N-propylanilino)propanamide?
2-(4-amino-N-propylanilino)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)propanamide is sourced from PubChem (CID 63233906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).