ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate

C15H28N2O3 — CID 61224895

IUPACethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCCCCC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-4-20-15(19)12-17(13(2)3)11-14(18)16-9-7-5-6-8-10-16/h13H,4-12H2,1-3H3
InChIKeyNKOSVHGYOMMVSX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.66
Rot. Bonds6

About ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate

ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate (PubChem CID 61224895) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
PubChem CID61224895
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCCCCC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-4-20-15(19)12-17(13(2)3)11-14(18)16-9-7-5-6-8-10-16/h13H,4-12H2,1-3H3
InChIKeyNKOSVHGYOMMVSX-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate with MolForge

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Related Compounds

ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate
CID 62027944
ethyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026818
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate
CID 106439800

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate (CID 61224895) is ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate is CCOC(=O)CN(CC(=O)N1CCCCCC1)C(C)C.
What is the InChIKey of ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate?
The InChIKey is NKOSVHGYOMMVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-20-15(19)12-17(13(2)3)11-14(18)16-9-7-5-6-8-10-16/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61224895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).