2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide

C15H20N2O3 — CID 47116839

IUPAC2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
SMILESO=C(CN1CCCCCC1=O)NOCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(11-17-10-6-2-5-9-15(17)19)16-20-12-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18)
InChIKeyBBZYWGVCLHXMLV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds5

About 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide

2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide (PubChem CID 47116839) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
PubChem CID47116839
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
SMILESO=C(CN1CCCCCC1=O)NOCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(11-17-10-6-2-5-9-15(17)19)16-20-12-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18)
InChIKeyBBZYWGVCLHXMLV-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-oxopiperidin-1-yl)methyl]triazol-1-yl]-N-phenylmethoxyacetamide
CID 166251293
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 142011046
1-[[2-(2-oxoazepan-1-yl)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8677167
N'-benzyl-2-(2-oxopiperidin-1-yl)-N'-phenylacetohydrazide
CID 78865761
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673
N-(2-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 29276180
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide (CID 47116839) is 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide is O=C(CN1CCCCCC1=O)NOCc1ccccc1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide?
The InChIKey is BBZYWGVCLHXMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(11-17-10-6-2-5-9-15(17)19)16-20-12-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,18).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide?
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 47116839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).