3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

C22H29N5O2 — CID 109041251

IUPAC3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N5O2/c1-17(28)24-19-5-3-18(4-6-19)23-12-11-22(29)25-20-7-9-21(10-8-20)27-15-13-26(2)14-16-27/h3-10,23H,11-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyJLDYOGGMNWHVLF-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.84
Rot. Bonds7

About 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 109041251) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID109041251
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N5O2/c1-17(28)24-19-5-3-18(4-6-19)23-12-11-22(29)25-20-7-9-21(10-8-20)27-15-13-26(2)14-16-27/h3-10,23H,11-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyJLDYOGGMNWHVLF-UHFFFAOYSA-N
XLogP2.84
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]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

N-(3-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109040894
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
3-(1,3-benzodioxol-5-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041927
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109039569
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
3-(2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109035216
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
methyl 3-[3-[4-(4-methylpiperazin-1-yl)anilino]propanoylamino]benzoate
CID 109041389

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 109041251) is 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is CC(=O)Nc1ccc(NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is JLDYOGGMNWHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17(28)24-19-5-3-18(4-6-19)23-12-11-22(29)25-20-7-9-21(10-8-20)27-15-13-26(2)14-16-27/h3-10,23H,11-16H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 395.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 109041251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).