2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide

C17H28N4O — CID 120670632

IUPAC2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCC(C)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N4O/c1-13-4-6-15(7-5-13)16(18)17(22)19-12-14(2)21-10-8-20(3)9-11-21/h4-7,14,16H,8-12,18H2,1-3H3,(H,19,22)
InChIKeyKJIYKOMHHURKBX-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.75
Rot. Bonds5

About 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide

2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide (PubChem CID 120670632) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID120670632
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCC(C)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N4O/c1-13-4-6-15(7-5-13)16(18)17(22)19-12-14(2)21-10-8-20(3)9-11-21/h4-7,14,16H,8-12,18H2,1-3H3,(H,19,22)
InChIKeyKJIYKOMHHURKBX-UHFFFAOYSA-N
XLogP0.75
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]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

2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 106151736
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114172133
(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 119902872
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 120669819
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
2-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669818
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide
CID 106312263
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699
2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 120669331
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide (CID 120670632) is 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide is Cc1ccc(C(N)C(=O)NCC(C)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide?
The InChIKey is KJIYKOMHHURKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-4-6-15(7-5-13)16(18)17(22)19-12-14(2)21-10-8-20(3)9-11-21/h4-7,14,16H,8-12,18H2,1-3H3,(H,19,22).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide has a molecular weight of 304.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 120670632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).