2-(azepan-1-yl)-N-ethyl-2-oxoacetamide

C10H18N2O2 — CID 108521159

IUPAC2-(azepan-1-yl)-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)N1CCCCCC1
InChIInChI=1S/C10H18N2O2/c1-2-11-9(13)10(14)12-7-5-3-4-6-8-12/h2-8H2,1H3,(H,11,13)
InChIKeyFPYZYPROLOHQEK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.53
Rot. Bonds1

About 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide

2-(azepan-1-yl)-N-ethyl-2-oxoacetamide (PubChem CID 108521159) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-2-oxoacetamide
PubChem CID108521159
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(azepan-1-yl)-N-ethyl-2-oxoacetamide
SMILESCCNC(=O)C(=O)N1CCCCCC1
InChIInChI=1S/C10H18N2O2/c1-2-11-9(13)10(14)12-7-5-3-4-6-8-12/h2-8H2,1H3,(H,11,13)
InChIKeyFPYZYPROLOHQEK-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108521458
N-(2-hydroxy-2-methylpropyl)-2-oxo-2-piperidin-1-ylacetamide
CID 176960450
N-(3-hydroxypropyl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517228
N-[3-(diethylamino)propyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517232
N-ethylethanamine;1-piperidin-1-ylethanone
CID 143658502
ethyl 2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]acetate
CID 141279894
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
2-oxo-N-prop-1-en-2-yl-2-pyrrolidin-1-ylacetamide
CID 89129366
N-(cyanomethyl)-2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 61242794
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
N-[3-(ethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116657786

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide (CID 108521159) is 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide is CCNC(=O)C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide?
The InChIKey is FPYZYPROLOHQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-11-9(13)10(14)12-7-5-3-4-6-8-12/h2-8H2,1H3,(H,11,13).
What are the key properties of 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide?
2-(azepan-1-yl)-N-ethyl-2-oxoacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-2-oxoacetamide is sourced from PubChem (CID 108521159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).