3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide

C17H28N4O2 — CID 39112865

IUPAC3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1ccc(N2CCN(C)CC2)c(N)c1
InChIInChI=1S/C17H28N4O2/c1-20-8-10-21(11-9-20)16-5-3-14(13-15(16)18)4-6-17(22)19-7-12-23-2/h3,5,13H,4,6-12,18H2,1-2H3,(H,19,22)
InChIKeyYAOHTZKJGPZBTN-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.72
Rot. Bonds7

About 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide

3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide (PubChem CID 39112865) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide
PubChem CID39112865
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1ccc(N2CCN(C)CC2)c(N)c1
InChIInChI=1S/C17H28N4O2/c1-20-8-10-21(11-9-20)16-5-3-14(13-15(16)18)4-6-17(22)19-7-12-23-2/h3,5,13H,4,6-12,18H2,1-2H3,(H,19,22)
InChIKeyYAOHTZKJGPZBTN-UHFFFAOYSA-N
XLogP0.72
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide 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-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-cyclopropylpropanamide
CID 39112878
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(3-methylbutyl)propanamide
CID 39112758
3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
CID 39112930
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
CID 39112746
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 39112705
3-amino-4-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)benzamide
CID 100633265
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 30542602
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
N-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 91676098
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
CID 39112783

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide (CID 39112865) is 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1ccc(N2CCN(C)CC2)c(N)c1.
What is the InChIKey of 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide?
The InChIKey is YAOHTZKJGPZBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20-8-10-21(11-9-20)16-5-3-14(13-15(16)18)4-6-17(22)19-7-12-23-2/h3,5,13H,4,6-12,18H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide?
3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 39112865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).