methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate

C14H26N2O3 — CID 62012122

IUPACmethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate
SMILESC=C(C)CN(CC)C(=O)CN(C)CCCC(=O)OC
InChIInChI=1S/C14H26N2O3/c1-6-16(10-12(2)3)13(17)11-15(4)9-7-8-14(18)19-5/h2,6-11H2,1,3-5H3
InChIKeyGAWCTEMOCHIICP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds9

About methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate

methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate (PubChem CID 62012122) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate
PubChem CID62012122
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate
SMILESC=C(C)CN(CC)C(=O)CN(C)CCCC(=O)OC
InChIInChI=1S/C14H26N2O3/c1-6-16(10-12(2)3)13(17)11-15(4)9-7-8-14(18)19-5/h2,6-11H2,1,3-5H3
InChIKeyGAWCTEMOCHIICP-UHFFFAOYSA-N
XLogP1.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate with MolForge

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Related Compounds

4-[Dimethyl-[2-[methyl(2-methylprop-2-enoyl)amino]ethyl]azaniumyl]-2-methylbutanoate
CID 177114590
Methyl 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]butanoate
CID 43377767
Methyl 4-[[2-[acetyl(methyl)amino]acetyl]-methylamino]butanoate
CID 54942700
Methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate
CID 54990030
4-[[2-[Ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoic acid
CID 55006027
Methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate
CID 55208263
Methyl 4-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]butanoate
CID 55208405
Methyl 1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60677436
Ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate
CID 60687675
4-[[2-[Ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60832996
Methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964697
Methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate
CID 61449098

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate?
The IUPAC name of methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate (CID 62012122) is methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate?
The canonical SMILES for methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate is C=C(C)CN(CC)C(=O)CN(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate?
The InChIKey is GAWCTEMOCHIICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-16(10-12(2)3)13(17)11-15(4)9-7-8-14(18)19-5/h2,6-11H2,1,3-5H3.
What are the key properties of methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate?
methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]butanoate is sourced from PubChem (CID 62012122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).