3-(4-amino-3-methoxyanilino)-N-propylpropanamide

C13H21N3O2 — CID 63676677

IUPAC3-(4-amino-3-methoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccc(N)c(OC)c1
InChIInChI=1S/C13H21N3O2/c1-3-7-16-13(17)6-8-15-10-4-5-11(14)12(9-10)18-2/h4-5,9,15H,3,6-8,14H2,1-2H3,(H,16,17)
InChIKeyBCBZJSOBUXASEV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.61
Rot. Bonds7

About 3-(4-amino-3-methoxyanilino)-N-propylpropanamide

3-(4-amino-3-methoxyanilino)-N-propylpropanamide (PubChem CID 63676677) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(4-amino-3-methoxyanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-amino-3-methoxyanilino)-N-propylpropanamide
PubChem CID63676677
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(4-amino-3-methoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccc(N)c(OC)c1
InChIInChI=1S/C13H21N3O2/c1-3-7-16-13(17)6-8-15-10-4-5-11(14)12(9-10)18-2/h4-5,9,15H,3,6-8,14H2,1-2H3,(H,16,17)
InChIKeyBCBZJSOBUXASEV-UHFFFAOYSA-N
XLogP1.61
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-amino-3-methoxyanilino)-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
3-(naphthalen-2-ylamino)-N-propylpropanamide
CID 62020504
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methoxyanilino)-N-propylpropanamide?
The IUPAC name of 3-(4-amino-3-methoxyanilino)-N-propylpropanamide (CID 63676677) is 3-(4-amino-3-methoxyanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(4-amino-3-methoxyanilino)-N-propylpropanamide?
The canonical SMILES for 3-(4-amino-3-methoxyanilino)-N-propylpropanamide is CCCNC(=O)CCNc1ccc(N)c(OC)c1.
What is the InChIKey of 3-(4-amino-3-methoxyanilino)-N-propylpropanamide?
The InChIKey is BCBZJSOBUXASEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-16-13(17)6-8-15-10-4-5-11(14)12(9-10)18-2/h4-5,9,15H,3,6-8,14H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-amino-3-methoxyanilino)-N-propylpropanamide?
3-(4-amino-3-methoxyanilino)-N-propylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methoxyanilino)-N-propylpropanamide is sourced from PubChem (CID 63676677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).