2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide

C26H29N3O — CID 16618246

IUPAC2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide
SMILESO=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H29N3O/c30-26(27-25-15-8-7-14-24(25)23-12-5-2-6-13-23)21-29-17-9-16-28(18-19-29)20-22-10-3-1-4-11-22/h1-8,10-15H,9,16-21H2,(H,27,30)
InChIKeyQNDYMHLMHXIPGE-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.50
Rot. Bonds6

About 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide

2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide (PubChem CID 16618246) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide
PubChem CID16618246
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide
SMILESO=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H29N3O/c30-26(27-25-15-8-7-14-24(25)23-12-5-2-6-13-23)21-29-17-9-16-28(18-19-29)20-22-10-3-1-4-11-22/h1-8,10-15H,9,16-21H2,(H,27,30)
InChIKeyQNDYMHLMHXIPGE-UHFFFAOYSA-N
XLogP4.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
2-(4-benzyl-1,4-diazepan-1-yl)-N-quinolin-5-ylacetamide
CID 30297224
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-phenylphenyl)acetamide
CID 11940894
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527
2-(4-benzyl-1,4-diazepan-1-yl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 16608496
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide (CID 16618246) is 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide is O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide?
The InChIKey is QNDYMHLMHXIPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c30-26(27-25-15-8-7-14-24(25)23-12-5-2-6-13-23)21-29-17-9-16-28(18-19-29)20-22-10-3-1-4-11-22/h1-8,10-15H,9,16-21H2,(H,27,30).
What are the key properties of 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide?
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 16618246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).