N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide

C22H26N4O3 — CID 60539008

IUPACN-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide
SMILESCC(=O)N1CCN(C(=O)CNc2cccc(NC(=O)c3ccccc3)c2C)CC1
InChIInChI=1S/C22H26N4O3/c1-16-19(23-15-21(28)26-13-11-25(12-14-26)17(2)27)9-6-10-20(16)24-22(29)18-7-4-3-5-8-18/h3-10,23H,11-15H2,1-2H3,(H,24,29)
InChIKeyNRHDSLLFQGZPPW-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.35
Rot. Bonds5

About N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide

N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide (PubChem CID 60539008) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide
PubChem CID60539008
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide
SMILESCC(=O)N1CCN(C(=O)CNc2cccc(NC(=O)c3ccccc3)c2C)CC1
InChIInChI=1S/C22H26N4O3/c1-16-19(23-15-21(28)26-13-11-25(12-14-26)17(2)27)9-6-10-20(16)24-22(29)18-7-4-3-5-8-18/h3-10,23H,11-15H2,1-2H3,(H,24,29)
InChIKeyNRHDSLLFQGZPPW-UHFFFAOYSA-N
XLogP2.35
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 60536489
methyl 2-(3-benzamido-2-methylanilino)acetate
CID 47064255
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 55918836
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
CID 112839420
2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 60536680
1-(4-benzylpiperazin-1-yl)-2-(2,3-dimethylanilino)ethanone
CID 109002020
2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
CID 110006557
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide?
The IUPAC name of N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide (CID 60539008) is N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide is CC(=O)N1CCN(C(=O)CNc2cccc(NC(=O)c3ccccc3)c2C)CC1.
What is the InChIKey of N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide?
The InChIKey is NRHDSLLFQGZPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-19(23-15-21(28)26-13-11-25(12-14-26)17(2)27)9-6-10-20(16)24-22(29)18-7-4-3-5-8-18/h3-10,23H,11-15H2,1-2H3,(H,24,29).
What are the key properties of N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide?
N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 60539008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).