N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide

C20H26N4O — CID 91683990

IUPACN-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide
SMILESCCN1CCN(c2cc(NC(=O)c3ccccc3)c(N)cc2C)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-9-11-24(12-10-23)19-14-18(17(21)13-15(19)2)22-20(25)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,21H2,1-2H3,(H,22,25)
InChIKeyWSJQAZGCHOXCEF-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.97
Rot. Bonds4

About N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide

N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide (PubChem CID 91683990) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide
PubChem CID91683990
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide
SMILESCCN1CCN(c2cc(NC(=O)c3ccccc3)c(N)cc2C)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-9-11-24(12-10-23)19-14-18(17(21)13-15(19)2)22-20(25)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,21H2,1-2H3,(H,22,25)
InChIKeyWSJQAZGCHOXCEF-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-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 91675846
N-[2-amino-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylphenyl]-3-methylbenzamide
CID 99969105
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide (CID 91683990) is N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide is CCN1CCN(c2cc(NC(=O)c3ccccc3)c(N)cc2C)CC1.
What is the InChIKey of N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide?
The InChIKey is WSJQAZGCHOXCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23-9-11-24(12-10-23)19-14-18(17(21)13-15(19)2)22-20(25)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,21H2,1-2H3,(H,22,25).
What are the key properties of N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide?
N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide 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 N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide is sourced from PubChem (CID 91683990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).