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

C20H25N3O2 — CID 17403854

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(C)ccc3O)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-3-22-10-12-23(13-11-22)17-7-5-16(6-8-17)21-20(25)18-14-15(2)4-9-19(18)24/h4-9,14,24H,3,10-13H2,1-2H3,(H,21,25)
InChIKeySYMLXTDKOCGFJU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds4

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

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide (PubChem CID 17403854) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
PubChem CID17403854
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(C)ccc3O)cc2)CC1
InChIInChI=1S/C20H25N3O2/c1-3-22-10-12-23(13-11-22)17-7-5-16(6-8-17)21-20(25)18-14-15(2)4-9-19(18)24/h4-9,14,24H,3,10-13H2,1-2H3,(H,21,25)
InChIKeySYMLXTDKOCGFJU-UHFFFAOYSA-N
XLogP3.09
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
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-hydroxy-5-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559329
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(diethylamino)phenyl]-2-hydroxy-5-methylbenzamide
CID 39122388
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 2949855
3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 21216580
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 2950672

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide (CID 17403854) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide is CCN1CCN(c2ccc(NC(=O)c3cc(C)ccc3O)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is SYMLXTDKOCGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-22-10-12-23(13-11-22)17-7-5-16(6-8-17)21-20(25)18-14-15(2)4-9-19(18)24/h4-9,14,24H,3,10-13H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 17403854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).