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

C15H21N3O2 — CID 43145090

IUPAC2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
SMILESO=C(NCCc1ccccc1)C(=O)N1CCCNCC1
InChIInChI=1S/C15H21N3O2/c19-14(15(20)18-11-4-8-16-10-12-18)17-9-7-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,17,19)
InChIKeyABSHSEJKGSBAPB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.17
Rot. Bonds3

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

2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide (PubChem CID 43145090) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
PubChem CID43145090
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
SMILESO=C(NCCc1ccccc1)C(=O)N1CCCNCC1
InChIInChI=1S/C15H21N3O2/c19-14(15(20)18-11-4-8-16-10-12-18)17-9-7-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,17,19)
InChIKeyABSHSEJKGSBAPB-UHFFFAOYSA-N
XLogP0.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.17
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

N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
2-(1,4-diazepan-1-yl)-N-[2-(3-fluorophenyl)ethyl]-2-oxoacetamide
CID 43566464
N-[(2-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43327502
2-(1,4-diazepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide
CID 43145106
N-(2-phenylethyl)diazinane-1-carboxamide
CID 69213478
2-(1,4-diazepan-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 43327503
2-oxo-N-(2-phenylethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985123
1-(1,4-diazepan-1-yl)-2,2-dimethyl-5-phenylpentan-1-one
CID 119414461
N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108503201
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
2-(1,4-diazepan-1-yl)-N-(2,2-difluoroethyl)-2-oxoacetamide
CID 115408222
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide (CID 43145090) is 2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide is O=C(NCCc1ccccc1)C(=O)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The InChIKey is ABSHSEJKGSBAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(15(20)18-11-4-8-16-10-12-18)17-9-7-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide?
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.17, 3 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 43145090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).