N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide

C20H26N4O — CID 11559141

IUPACN-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)c1ccc(N2CCN(C)CC2)cc1N
InChIInChI=1S/C20H26N4O/c1-16(25)24(15-17-6-4-3-5-7-17)20-9-8-18(14-19(20)21)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15,21H2,1-2H3
InChIKeyWYGBQZUNBWZIRS-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.57
Rot. Bonds4

About N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide

N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide (PubChem CID 11559141) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide.

Molecular Properties

Compound NameN-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide
PubChem CID11559141
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)c1ccc(N2CCN(C)CC2)cc1N
InChIInChI=1S/C20H26N4O/c1-16(25)24(15-17-6-4-3-5-7-17)20-9-8-18(14-19(20)21)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15,21H2,1-2H3
InChIKeyWYGBQZUNBWZIRS-UHFFFAOYSA-N
XLogP2.57
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide?
The IUPAC name of N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide (CID 11559141) is N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide.
What is the SMILES notation for N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide?
The canonical SMILES for N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide is CC(=O)N(Cc1ccccc1)c1ccc(N2CCN(C)CC2)cc1N.
What is the InChIKey of N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide?
The InChIKey is WYGBQZUNBWZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(25)24(15-17-6-4-3-5-7-17)20-9-8-18(14-19(20)21)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15,21H2,1-2H3.
What are the key properties of N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide?
N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide has a molecular weight of 338.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-benzylacetamide is sourced from PubChem (CID 11559141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).