undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate

C20H39NO4 — CID 91722849

IUPACundecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
SMILESCCCCCCCCCCCOC(=O)CN(CC)C(=O)OCC(C)C
InChIInChI=1S/C20H39NO4/c1-5-7-8-9-10-11-12-13-14-15-24-19(22)16-21(6-2)20(23)25-17-18(3)4/h18H,5-17H2,1-4H3
InChIKeyVEYMNFLPAZQSCK-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.17
Rot. Bonds15

About undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate

undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate (PubChem CID 91722849) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nameundecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
PubChem CID91722849
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Nameundecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
SMILESCCCCCCCCCCCOC(=O)CN(CC)C(=O)OCC(C)C
InChIInChI=1S/C20H39NO4/c1-5-7-8-9-10-11-12-13-14-15-24-19(22)16-21(6-2)20(23)25-17-18(3)4/h18H,5-17H2,1-4H3
InChIKeyVEYMNFLPAZQSCK-UHFFFAOYSA-N
XLogP5.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze undecyl 2-[ethyl(2-methylpropoxycarbonyl)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

heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
CID 91718812
octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723550
pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723541
2-methylpropyl N-ethyl-N-tetradecylcarbamate
CID 58096503
heptadecyl 2-[ethyl(prop-2-ynoxycarbonyl)amino]acetate
CID 91716860
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
CID 91723566
1-O-hexyl 4-O-(2-methylpropyl) butanedioate
CID 91701616
4-O-(2-methylpropyl) 1-O-octyl butanedioate
CID 91701618
1-O-heptyl 4-O-(2-methylpropyl) butanedioate
CID 91701617
1-O-decyl 7-O-(2-methylpropyl) heptanedioate
CID 91718362

Frequently Asked Questions

What is the IUPAC name of undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate?
The IUPAC name of undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate (CID 91722849) is undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate.
What is the SMILES notation for undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate?
The canonical SMILES for undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate is CCCCCCCCCCCOC(=O)CN(CC)C(=O)OCC(C)C.
What is the InChIKey of undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate?
The InChIKey is VEYMNFLPAZQSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c1-5-7-8-9-10-11-12-13-14-15-24-19(22)16-21(6-2)20(23)25-17-18(3)4/h18H,5-17H2,1-4H3.
What are the key properties of undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate?
undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate has a molecular weight of 357.54 g/mol, XLogP of 5.17, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate is sourced from PubChem (CID 91722849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).