4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide

C20H33N3O2 — CID 111477879

IUPAC4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(N2CCN(CC)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-5-16(3)20(4,25)15-21-19(24)17-7-9-18(10-8-17)23-13-11-22(6-2)12-14-23/h7-10,16,25H,5-6,11-15H2,1-4H3,(H,21,24)
InChIKeySLNLWKZJIQQCDL-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.36
Rot. Bonds7

About 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide

4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide (PubChem CID 111477879) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
PubChem CID111477879
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(N2CCN(CC)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-5-16(3)20(4,25)15-21-19(24)17-7-9-18(10-8-17)23-13-11-22(6-2)12-14-23/h7-10,16,25H,5-6,11-15H2,1-4H3,(H,21,24)
InChIKeySLNLWKZJIQQCDL-UHFFFAOYSA-N
XLogP2.36
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111446448
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111485980
4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002142
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
3-[[4-(azepan-1-yl)benzoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 167938791
2-[[4-(4-ethylpiperazin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119359026
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide (CID 111477879) is 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide is CCC(C)C(C)(O)CNC(=O)c1ccc(N2CCN(CC)CC2)cc1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The InChIKey is SLNLWKZJIQQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-16(3)20(4,25)15-21-19(24)17-7-9-18(10-8-17)23-13-11-22(6-2)12-14-23/h7-10,16,25H,5-6,11-15H2,1-4H3,(H,21,24).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide has a molecular weight of 347.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide is sourced from PubChem (CID 111477879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).