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

C23H32N4O — CID 109041935

IUPAC3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCCN(CCC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1cccc(C)c1
InChIInChI=1S/C23H32N4O/c1-4-26(22-7-5-6-19(2)18-22)13-12-23(28)24-20-8-10-21(11-9-20)27-16-14-25(3)15-17-27/h5-11,18H,4,12-17H2,1-3H3,(H,24,28)
InChIKeyIXGFEUVKMMCOCT-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.60
Rot. Bonds7

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

3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 109041935) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID109041935
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCCN(CCC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1cccc(C)c1
InChIInChI=1S/C23H32N4O/c1-4-26(22-7-5-6-19(2)18-22)13-12-23(28)24-20-8-10-21(11-9-20)27-16-14-25(3)15-17-27/h5-11,18H,4,12-17H2,1-3H3,(H,24,28)
InChIKeyIXGFEUVKMMCOCT-UHFFFAOYSA-N
XLogP3.60
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(N-ethyl-3-methylanilino)-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

2-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010683
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 53288224
4-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100506301
2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52690468
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
3-(2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109035216
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286944
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
1-[(3-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108898186

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 109041935) is 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is CCN(CCC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is IXGFEUVKMMCOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-26(22-7-5-6-19(2)18-22)13-12-23(28)24-20-8-10-21(11-9-20)27-16-14-25(3)15-17-27/h5-11,18H,4,12-17H2,1-3H3,(H,24,28).
What are the key properties of 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 380.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 109041935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).