octyl 2-[ethoxycarbonyl(methyl)amino]acetate

C14H27NO4 — CID 91709596

IUPACoctyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-4-6-7-8-9-10-11-19-13(16)12-15(3)14(17)18-5-2/h4-12H2,1-3H3
InChIKeyZPTBOBQJZOEAKX-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.98
Rot. Bonds10

About octyl 2-[ethoxycarbonyl(methyl)amino]acetate

octyl 2-[ethoxycarbonyl(methyl)amino]acetate (PubChem CID 91709596) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is octyl 2-[ethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nameoctyl 2-[ethoxycarbonyl(methyl)amino]acetate
PubChem CID91709596
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameoctyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-4-6-7-8-9-10-11-19-13(16)12-15(3)14(17)18-5-2/h4-12H2,1-3H3
InChIKeyZPTBOBQJZOEAKX-UHFFFAOYSA-N
XLogP2.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze octyl 2-[ethoxycarbonyl(methyl)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

octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
hexyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719271
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719245
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 6421879
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91709608
ethyl N-methyl-N-octylcarbamate
CID 15790108
heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
CID 91704966
undecyl N-methyl-N-pentylcarbamate
CID 54297307
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716470
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919

Frequently Asked Questions

What is the IUPAC name of octyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of octyl 2-[ethoxycarbonyl(methyl)amino]acetate (CID 91709596) is octyl 2-[ethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for octyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for octyl 2-[ethoxycarbonyl(methyl)amino]acetate is CCCCCCCCOC(=O)CN(C)C(=O)OCC.
What is the InChIKey of octyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The InChIKey is ZPTBOBQJZOEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-4-6-7-8-9-10-11-19-13(16)12-15(3)14(17)18-5-2/h4-12H2,1-3H3.
What are the key properties of octyl 2-[ethoxycarbonyl(methyl)amino]acetate?
octyl 2-[ethoxycarbonyl(methyl)amino]acetate has a molecular weight of 273.37 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[ethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91709596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).