5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide

C20H26N4O — CID 120647841

IUPAC5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)19-7-5-4-6-18(19)22-20(25)17-14-16(21)9-8-15(17)2/h4-9,14H,3,10-13,21H2,1-2H3,(H,22,25)
InChIKeyHUSCPJVQWUZHMU-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.97
Rot. Bonds4

About 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide

5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide (PubChem CID 120647841) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
PubChem CID120647841
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)19-7-5-4-6-18(19)22-20(25)17-14-16(21)9-8-15(17)2/h4-9,14H,3,10-13,21H2,1-2H3,(H,22,25)
InChIKeyHUSCPJVQWUZHMU-UHFFFAOYSA-N
XLogP2.97
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
CID 120645756
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
5-amino-2-methyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 120645731
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51111979
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide
CID 91683990
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
CID 99147654

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide (CID 120647841) is 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide is CCN1CCN(c2ccccc2NC(=O)c2cc(N)ccc2C)CC1.
What is the InChIKey of 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide?
The InChIKey is HUSCPJVQWUZHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)19-7-5-4-6-18(19)22-20(25)17-14-16(21)9-8-15(17)2/h4-9,14H,3,10-13,21H2,1-2H3,(H,22,25).
What are the key properties of 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide?
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide has a molecular weight of 338.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 120647841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).