2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C21H28N4O — CID 109007621

IUPAC2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-3-17-6-4-5-7-20(17)22-16-21(26)23-18-8-10-19(11-9-18)25-14-12-24(2)13-15-25/h4-11,22H,3,12-16H2,1-2H3,(H,23,26)
InChIKeyMTNZQKBAQWKDFR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 109007621) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID109007621
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-3-17-6-4-5-7-20(17)22-16-21(26)23-18-8-10-19(11-9-18)25-14-12-24(2)13-15-25/h4-11,22H,3,12-16H2,1-2H3,(H,23,26)
InChIKeyMTNZQKBAQWKDFR-UHFFFAOYSA-N
XLogP3.05
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.05
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

2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008238
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 109007621) is 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CCc1ccccc1NCC(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is MTNZQKBAQWKDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-17-6-4-5-7-20(17)22-16-21(26)23-18-8-10-19(11-9-18)25-14-12-24(2)13-15-25/h4-11,22H,3,12-16H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 109007621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).