2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide

C16H23N3O2 — CID 43327510

IUPAC2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12(2)13-4-6-14(7-5-13)18-15(20)16(21)19-10-3-8-17-9-11-19/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyVZYHAJJBOVGIRU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.57
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide

2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 43327510) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
PubChem CID43327510
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12(2)13-4-6-14(7-5-13)18-15(20)16(21)19-10-3-8-17-9-11-19/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyVZYHAJJBOVGIRU-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 43327555
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
2-(1,4-diazepan-1-yl)-2-oxo-N-thiophen-3-ylacetamide
CID 66356093
2-(4-benzhydrylpiperazin-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 44902793
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 43327572
2-(1,4-diazepan-1-yl)-N-(1-ethylpyrazol-4-yl)-2-oxoacetamide
CID 43543988
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583
1-(1,4-diazepan-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119417235
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119915334
N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide (CID 43327510) is 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C(=O)N2CCCNCC2)cc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is VZYHAJJBOVGIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)13-4-6-14(7-5-13)18-15(20)16(21)19-10-3-8-17-9-11-19/h4-7,12,17H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide?
2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43327510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).