N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

C19H31N5O2 — CID 113062524

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N5O2/c1-15(2)21-19(26)20-9-10-24(16(3)25)18-7-5-17(6-8-18)23-13-11-22(4)12-14-23/h5-8,15H,9-14H2,1-4H3,(H2,20,21,26)
InChIKeyJFUZYGACRGSFFM-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.50
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (PubChem CID 113062524) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
PubChem CID113062524
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N5O2/c1-15(2)21-19(26)20-9-10-24(16(3)25)18-7-5-17(6-8-18)23-13-11-22(4)12-14-23/h5-8,15H,9-14H2,1-4H3,(H2,20,21,26)
InChIKeyJFUZYGACRGSFFM-UHFFFAOYSA-N
XLogP1.50
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide 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-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]propanoic acid
CID 82320447
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454
N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062291
N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113062527
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113177382
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-butylpropanamide
CID 113132222
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
CID 113062414
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide (CID 113062524) is N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC(C)C)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
The InChIKey is JFUZYGACRGSFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(2)21-19(26)20-9-10-24(16(3)25)18-7-5-17(6-8-18)23-13-11-22(4)12-14-23/h5-8,15H,9-14H2,1-4H3,(H2,20,21,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113062524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).