octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate

C15H27NO4 — CID 91713128

IUPACoctyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCCCCCCCC
InChIInChI=1S/C15H27NO4/c1-4-6-7-8-9-10-12-19-14(17)13-16(3)15(18)20-11-5-2/h5H,2,4,6-13H2,1,3H3
InChIKeyZMEBVGWCUAPVDG-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.14
Rot. Bonds11

About octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate

octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (PubChem CID 91713128) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nameoctyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
PubChem CID91713128
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameoctyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCCCCCCCC
InChIInChI=1S/C15H27NO4/c1-4-6-7-8-9-10-12-19-14(17)13-16(3)15(18)20-11-5-2/h5H,2,4,6-13H2,1,3H3
InChIKeyZMEBVGWCUAPVDG-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Glycine, N-methyl-N-allyloxycarbonyl-, pentyl ester
CID 91713124
Glycine, N-methyl-N-allyloxycarbonyl-, isohexyl ester
CID 91713125
Glycine, N-methyl-N-allyloxycarbonyl-, hexyl ester
CID 91713126
Glycine, N-methyl-N-allyloxycarbonyl-, heptyl ester
CID 91713127
Glycine, N-methyl-N-allyloxycarbonyl-, nonyl ester
CID 91713129
Glycine, N-methyl-N-allyloxycarbonyl-, decyl ester
CID 91713130
Glycine, N-methyl-N-allyloxycarbonyl-, undecyl ester
CID 91713159
Glycine, N-methyl-N-allyloxycarbonyl-, dodecyl ester
CID 91713160
Glycine, N-methyl-N-allyloxycarbonyl-, tetradecyl ester
CID 91713161
Glycine, N-methyl-N-allyloxycarbonyl-, hexadecyl ester
CID 91713162
Glycine, N-methyl-N-allyloxycarbonyl-, heptadecyl ester
CID 91713163
Glycine, N-methyl-N-allyloxycarbonyl-, octadecyl ester
CID 91713164

Frequently Asked Questions

What is the IUPAC name of octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The IUPAC name of octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (CID 91713128) is octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.
What is the SMILES notation for octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The canonical SMILES for octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is C=CCOC(=O)N(C)CC(=O)OCCCCCCCC.
What is the InChIKey of octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The InChIKey is ZMEBVGWCUAPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-6-7-8-9-10-12-19-14(17)13-16(3)15(18)20-11-5-2/h5H,2,4,6-13H2,1,3H3.
What are the key properties of octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate has a molecular weight of 285.38 g/mol, XLogP of 3.14, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is sourced from PubChem (CID 91713128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).