ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate

C13H25NO4 — CID 62026057

IUPACethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
SMILESCCCCOC(=O)CN(CC(=O)OCC)C(C)C
InChIInChI=1S/C13H25NO4/c1-5-7-8-18-13(16)10-14(11(3)4)9-12(15)17-6-2/h11H,5-10H2,1-4H3
InChIKeyHNOYNIIERYJIHI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.60
Rot. Bonds9

About ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate

ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate (PubChem CID 62026057) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
PubChem CID62026057
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
SMILESCCCCOC(=O)CN(CC(=O)OCC)C(C)C
InChIInChI=1S/C13H25NO4/c1-5-7-8-18-13(16)10-14(11(3)4)9-12(15)17-6-2/h11H,5-10H2,1-4H3
InChIKeyHNOYNIIERYJIHI-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 61224895
6-O-butyl 1-O-ethyl hexanedioate
CID 22057026
ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate
CID 106439800
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
butyl 2-(dimethylamino)acetate;methane
CID 157088664
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62027008
butyl 3-oxobutanoate;ethyl 3-oxobutanoate
CID 146405980
ethyl 3,3-dibutoxypropanoate
CID 14297450
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate (CID 62026057) is ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate is CCCCOC(=O)CN(CC(=O)OCC)C(C)C.
What is the InChIKey of ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate?
The InChIKey is HNOYNIIERYJIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-7-8-18-13(16)10-14(11(3)4)9-12(15)17-6-2/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate?
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate has a molecular weight of 259.35 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 62026057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).