4-(4-amino-3-propoxyanilino)butanamide

C13H21N3O2 — CID 63671493

IUPAC4-(4-amino-3-propoxyanilino)butanamide
SMILESCCCOc1cc(NCCCC(N)=O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-2-8-18-12-9-10(5-6-11(12)14)16-7-3-4-13(15)17/h5-6,9,16H,2-4,7-8,14H2,1H3,(H2,15,17)
InChIKeyORVFPOHWEQTBOY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.74
Rot. Bonds8

About 4-(4-amino-3-propoxyanilino)butanamide

4-(4-amino-3-propoxyanilino)butanamide (PubChem CID 63671493) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(4-amino-3-propoxyanilino)butanamide.

Molecular Properties

Compound Name4-(4-amino-3-propoxyanilino)butanamide
PubChem CID63671493
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(4-amino-3-propoxyanilino)butanamide
SMILESCCCOc1cc(NCCCC(N)=O)ccc1N
InChIInChI=1S/C13H21N3O2/c1-2-8-18-12-9-10(5-6-11(12)14)16-7-3-4-13(15)17/h5-6,9,16H,2-4,7-8,14H2,1H3,(H2,15,17)
InChIKeyORVFPOHWEQTBOY-UHFFFAOYSA-N
XLogP1.74
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-3-propoxyanilino)butanamide 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

methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
N-[3-(4-amino-3-propoxyanilino)propyl]methanesulfonamide
CID 106333876
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
2-propoxy-4-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 63677568
4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
CID 63671834
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
CID 89075678
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981
N-butyl-3,4-dipropoxyaniline
CID 83961551
4-amino-3-propoxybenzamide
CID 63356295
4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-propoxyanilino)butanamide?
The IUPAC name of 4-(4-amino-3-propoxyanilino)butanamide (CID 63671493) is 4-(4-amino-3-propoxyanilino)butanamide.
What is the SMILES notation for 4-(4-amino-3-propoxyanilino)butanamide?
The canonical SMILES for 4-(4-amino-3-propoxyanilino)butanamide is CCCOc1cc(NCCCC(N)=O)ccc1N.
What is the InChIKey of 4-(4-amino-3-propoxyanilino)butanamide?
The InChIKey is ORVFPOHWEQTBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-8-18-12-9-10(5-6-11(12)14)16-7-3-4-13(15)17/h5-6,9,16H,2-4,7-8,14H2,1H3,(H2,15,17).
What are the key properties of 4-(4-amino-3-propoxyanilino)butanamide?
4-(4-amino-3-propoxyanilino)butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-propoxyanilino)butanamide is sourced from PubChem (CID 63671493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).