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

C22H26N4O3 — CID 60536489

IUPACN-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide
SMILESCC(=O)N1CCN(C(=O)CNc2cc(NC(=O)c3ccccc3)ccc2C)CC1
InChIInChI=1S/C22H26N4O3/c1-16-8-9-19(24-22(29)18-6-4-3-5-7-18)14-20(16)23-15-21(28)26-12-10-25(11-13-26)17(2)27/h3-9,14,23H,10-13,15H2,1-2H3,(H,24,29)
InChIKeyBLYNHBJXMHQILO-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.35
Rot. Bonds5

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

N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide (PubChem CID 60536489) 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]-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide
PubChem CID60536489
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide
SMILESCC(=O)N1CCN(C(=O)CNc2cc(NC(=O)c3ccccc3)ccc2C)CC1
InChIInChI=1S/C22H26N4O3/c1-16-8-9-19(24-22(29)18-6-4-3-5-7-18)14-20(16)23-15-21(28)26-12-10-25(11-13-26)17(2)27/h3-9,14,23H,10-13,15H2,1-2H3,(H,24,29)
InChIKeyBLYNHBJXMHQILO-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-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703669
N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 60539008
N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide
CID 60536365
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 47064079
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-[3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-methylphenyl]benzamide
CID 86994865
N-[4-methyl-3-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 55897358
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703680

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide (CID 60536489) is N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide is CC(=O)N1CCN(C(=O)CNc2cc(NC(=O)c3ccccc3)ccc2C)CC1.
What is the InChIKey of N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The InChIKey is BLYNHBJXMHQILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-8-9-19(24-22(29)18-6-4-3-5-7-18)14-20(16)23-15-21(28)26-12-10-25(11-13-26)17(2)27/h3-9,14,23H,10-13,15H2,1-2H3,(H,24,29).
What are the key properties of N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-methylphenyl]benzamide?
N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-4-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]-4-methylphenyl]benzamide is sourced from PubChem (CID 60536489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).