dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate

C20H39NO4 — CID 91718812

IUPACdodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
SMILESCCCCCCCCCCCCOC(=O)CN(CC)C(=O)OCCC
InChIInChI=1S/C20H39NO4/c1-4-7-8-9-10-11-12-13-14-15-17-24-19(22)18-21(6-3)20(23)25-16-5-2/h4-18H2,1-3H3
InChIKeyCUUVPMBFKXSVIT-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.32
Rot. Bonds16

About dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate

dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate (PubChem CID 91718812) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate.

Molecular Properties

Compound Namedodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
PubChem CID91718812
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Namedodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
SMILESCCCCCCCCCCCCOC(=O)CN(CC)C(=O)OCCC
InChIInChI=1S/C20H39NO4/c1-4-7-8-9-10-11-12-13-14-15-17-24-19(22)18-21(6-3)20(23)25-16-5-2/h4-18H2,1-3H3
InChIKeyCUUVPMBFKXSVIT-UHFFFAOYSA-N
XLogP5.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723550
pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723541
octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
CID 91723566
undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
CID 91722849
heptadecyl 2-[ethyl(prop-2-ynoxycarbonyl)amino]acetate
CID 91716860
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
octyl N,N-di(nonyl)carbamate
CID 168918776
propyl N,N-diheptylcarbamate
CID 168918832
octyl N,N-di(undecyl)carbamate
CID 168918683
1-O-propyl 10-O-tetradecyl decanedioate
CID 91736271
4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723542

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate?
The IUPAC name of dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate (CID 91718812) is dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate.
What is the SMILES notation for dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate?
The canonical SMILES for dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate is CCCCCCCCCCCCOC(=O)CN(CC)C(=O)OCCC.
What is the InChIKey of dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate?
The InChIKey is CUUVPMBFKXSVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c1-4-7-8-9-10-11-12-13-14-15-17-24-19(22)18-21(6-3)20(23)25-16-5-2/h4-18H2,1-3H3.
What are the key properties of dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate?
dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate has a molecular weight of 357.54 g/mol, XLogP of 5.32, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate is sourced from PubChem (CID 91718812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).