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

C16H26N4O — CID 106151736

IUPAC2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-13-3-5-14(6-4-13)15(17)16(21)18-7-8-20-11-9-19(2)10-12-20/h3-6,15H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyLOGDNWMVSPNORN-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.36
Rot. Bonds5

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

2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 106151736) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID106151736
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-13-3-5-14(6-4-13)15(17)16(21)18-7-8-20-11-9-19(2)10-12-20/h3-6,15H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyLOGDNWMVSPNORN-UHFFFAOYSA-N
XLogP0.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669818
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 120670632
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 119853604

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 106151736) is 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide is Cc1ccc(C(N)C(=O)NCCN2CCN(C)CC2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is LOGDNWMVSPNORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-3-5-14(6-4-13)15(17)16(21)18-7-8-20-11-9-19(2)10-12-20/h3-6,15H,7-12,17H2,1-2H3,(H,18,21).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 0.36, 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)ethyl]acetamide is sourced from PubChem (CID 106151736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).