2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide

C21H26N4O2 — CID 55511052

IUPAC2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c22-21(27)18-9-4-5-10-19(18)23-20(26)16-25-12-6-11-24(13-14-25)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H2,22,27)(H,23,26)
InChIKeyPIJONKGMZNRGEN-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.93
Rot. Bonds6

About 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide

2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide (PubChem CID 55511052) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
PubChem CID55511052
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c22-21(27)18-9-4-5-10-19(18)23-20(26)16-25-12-6-11-24(13-14-25)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H2,22,27)(H,23,26)
InChIKeyPIJONKGMZNRGEN-UHFFFAOYSA-N
XLogP1.93
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide
CID 16618246
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 16618283
2-[[2-(4-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 82342701
4-[[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 34708303
2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
CID 30297224
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527
2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 16596397
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide (CID 55511052) is 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide?
The InChIKey is PIJONKGMZNRGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-21(27)18-9-4-5-10-19(18)23-20(26)16-25-12-6-11-24(13-14-25)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H2,22,27)(H,23,26).
What are the key properties of 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide?
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide has a molecular weight of 366.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55511052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).