4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide

C19H32N4O2 — CID 111695269

IUPAC4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide
SMILESCCN(C)c1ccc(C(=O)N(C)CC(O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N4O2/c1-5-21(3)17-8-6-16(7-9-17)19(25)22(4)14-18(24)15-23-12-10-20(2)11-13-23/h6-9,18,24H,5,10-15H2,1-4H3
InChIKeyWQIZWZQWZOETAT-UHFFFAOYSA-N
MW348.49 g/mol
LogP0.82
Rot. Bonds7

About 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide

4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide (PubChem CID 111695269) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide
PubChem CID111695269
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide
SMILESCCN(C)c1ccc(C(=O)N(C)CC(O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C19H32N4O2/c1-5-21(3)17-8-6-16(7-9-17)19(25)22(4)14-18(24)15-23-12-10-20(2)11-13-23/h6-9,18,24H,5,10-15H2,1-4H3
InChIKeyWQIZWZQWZOETAT-UHFFFAOYSA-N
XLogP0.82
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide?
The IUPAC name of 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide (CID 111695269) is 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide is CCN(C)c1ccc(C(=O)N(C)CC(O)CN2CCN(C)CC2)cc1.
What is the InChIKey of 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide?
The InChIKey is WQIZWZQWZOETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-21(3)17-8-6-16(7-9-17)19(25)22(4)14-18(24)15-23-12-10-20(2)11-13-23/h6-9,18,24H,5,10-15H2,1-4H3.
What are the key properties of 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide?
4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide has a molecular weight of 348.49 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide is sourced from PubChem (CID 111695269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).