3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

C23H30N4O4 — CID 56517485

IUPAC3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCNC(=O)COc1ccc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc1OC
InChIInChI=1S/C23H30N4O4/c1-24-22(28)16-31-20-9-8-17(14-21(20)30-3)23(29)25-15-18-6-4-5-7-19(18)27-12-10-26(2)11-13-27/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyROOYSQJMTCUCEH-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.50
Rot. Bonds8

About 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 56517485) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID56517485
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCNC(=O)COc1ccc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc1OC
InChIInChI=1S/C23H30N4O4/c1-24-22(28)16-31-20-9-8-17(14-21(20)30-3)23(29)25-15-18-6-4-5-7-19(18)27-12-10-26(2)11-13-27/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyROOYSQJMTCUCEH-UHFFFAOYSA-N
XLogP1.50
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide
CID 56581973
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55986766
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 119439139
4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518367
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742869
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 56523344
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]prop-2-enamide
CID 56517524
3-methoxy-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-4-prop-2-enoxybenzamide
CID 39172679

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (CID 56517485) is 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is CNC(=O)COc1ccc(C(=O)NCc2ccccc2N2CCN(C)CC2)cc1OC.
What is the InChIKey of 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is ROOYSQJMTCUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-24-22(28)16-31-20-9-8-17(14-21(20)30-3)23(29)25-15-18-6-4-5-7-19(18)27-12-10-26(2)11-13-27/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 56517485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).