3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide

C17H27N3O4 — CID 67489450

IUPAC3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(OCC(O)N2CCN(C)CC2)cc(C(N)=O)c1
InChIInChI=1S/C17H27N3O4/c1-12(2)24-15-9-13(17(18)22)8-14(10-15)23-11-16(21)20-6-4-19(3)5-7-20/h8-10,12,16,21H,4-7,11H2,1-3H3,(H2,18,22)
InChIKeyNNXLUWDRROGQOQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.52
Rot. Bonds7

About 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide

3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide (PubChem CID 67489450) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide
PubChem CID67489450
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(OCC(O)N2CCN(C)CC2)cc(C(N)=O)c1
InChIInChI=1S/C17H27N3O4/c1-12(2)24-15-9-13(17(18)22)8-14(10-15)23-11-16(21)20-6-4-19(3)5-7-20/h8-10,12,16,21H,4-7,11H2,1-3H3,(H2,18,22)
InChIKeyNNXLUWDRROGQOQ-UHFFFAOYSA-N
XLogP0.52
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide?
The IUPAC name of 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide (CID 67489450) is 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide.
What is the SMILES notation for 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide?
The canonical SMILES for 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide is CC(C)Oc1cc(OCC(O)N2CCN(C)CC2)cc(C(N)=O)c1.
What is the InChIKey of 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide?
The InChIKey is NNXLUWDRROGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12(2)24-15-9-13(17(18)22)8-14(10-15)23-11-16(21)20-6-4-19(3)5-7-20/h8-10,12,16,21H,4-7,11H2,1-3H3,(H2,18,22).
What are the key properties of 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide?
3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide has a molecular weight of 337.42 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxybenzamide is sourced from PubChem (CID 67489450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).