N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

C22H30N4O — CID 109035128

IUPACN-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc(N3CCN(C)CC3)cc2)c(C)c1
InChIInChI=1S/C22H30N4O/c1-17-4-9-21(18(2)16-17)24-22(27)10-11-23-19-5-7-20(8-6-19)26-14-12-25(3)13-15-26/h4-9,16,23H,10-15H2,1-3H3,(H,24,27)
InChIKeyQBNSVVRYMUUMPR-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.50
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109035128) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109035128
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc(N3CCN(C)CC3)cc2)c(C)c1
InChIInChI=1S/C22H30N4O/c1-17-4-9-21(18(2)16-17)24-22(27)10-11-23-19-5-7-20(8-6-19)26-14-12-25(3)13-15-26/h4-9,16,23H,10-15H2,1-3H3,(H,24,27)
InChIKeyQBNSVVRYMUUMPR-UHFFFAOYSA-N
XLogP3.50
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109035216
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109035126
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 78792146
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 134017400
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
CID 113177416
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
N-(3-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109040894
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 109035100

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109035128) is N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is Cc1ccc(NC(=O)CCNc2ccc(N3CCN(C)CC3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is QBNSVVRYMUUMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-4-9-21(18(2)16-17)24-22(27)10-11-23-19-5-7-20(8-6-19)26-14-12-25(3)13-15-26/h4-9,16,23H,10-15H2,1-3H3,(H,24,27).
What are the key properties of N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 366.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109035128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).