3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

C23H31N3O3 — CID 36559277

IUPAC3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1OCC
InChIInChI=1S/C23H31N3O3/c1-5-28-21-10-7-18(16-22(21)29-6-2)23(27)24-20-9-8-19(15-17(20)3)26-13-11-25(4)12-14-26/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,27)
InChIKeyWWCHMMAATLKRJM-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.80
Rot. Bonds7

About 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 36559277) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID36559277
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1OCC
InChIInChI=1S/C23H31N3O3/c1-5-28-21-10-7-18(16-22(21)29-6-2)23(27)24-20-9-8-19(15-17(20)3)26-13-11-25(4)12-14-26/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,27)
InChIKeyWWCHMMAATLKRJM-UHFFFAOYSA-N
XLogP3.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-methoxybenzamide
CID 36564372
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997
2-ethoxy-N-[(2S)-3-methyl-1-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 32551764
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 35355595
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
CID 26711987
4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058910
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
2-(2-ethoxy-4-formylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 78812646

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 36559277) is 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is WWCHMMAATLKRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-28-21-10-7-18(16-22(21)29-6-2)23(27)24-20-9-8-19(15-17(20)3)26-13-11-25(4)12-14-26/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,27).
What are the key properties of 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 36559277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).