[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate

C25H42N2O7 — CID 169131531

IUPAC[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate
SMILESCCCCCCCCCCCCCCOc1nc(C(=O)OCC(=O)N(C)CC(=O)OCC)co1
InChIInChI=1S/C25H42N2O7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-32-25-26-21(19-34-25)24(30)33-20-22(28)27(3)18-23(29)31-5-2/h19H,4-18,20H2,1-3H3
InChIKeyFZPVQCWBHIDELP-UHFFFAOYSA-N
MW482.62 g/mol
LogP4.93
Rot. Bonds20

About [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate

[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate (PubChem CID 169131531) has the molecular formula C25H42N2O7 and a molecular weight of 482.62 g/mol. Its IUPAC name is [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate
PubChem CID169131531
Molecular FormulaC25H42N2O7
Molecular Weight482.62 g/mol
Exact Mass482.30
IUPAC Name[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate
SMILESCCCCCCCCCCCCCCOc1nc(C(=O)OCC(=O)N(C)CC(=O)OCC)co1
InChIInChI=1S/C25H42N2O7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-32-25-26-21(19-34-25)24(30)33-20-22(28)27(3)18-23(29)31-5-2/h19H,4-18,20H2,1-3H3
InChIKeyFZPVQCWBHIDELP-UHFFFAOYSA-N
XLogP4.93
TPSA108.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-tetradecoxy-1,3-oxazole-4-carboxylate
CID 169131542
ethyl 2-[[2-(4-dodecoxyphenyl)acetyl]-methylamino]acetate
CID 14477214
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
octyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71458299
[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 3-fluoro-4-tridecyl-1H-pyrrole-2-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-fluoro-4-tridecyl-1H-pyrrole-2-carboxylate
CID 158170169
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 6421879
[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-acetyloxybenzoate
CID 15616258
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237
dodecyl 2-[(4-methoxybenzoyl)-methylamino]acetate
CID 91715321

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate?
The IUPAC name of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate (CID 169131531) is [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate?
The canonical SMILES for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate is CCCCCCCCCCCCCCOc1nc(C(=O)OCC(=O)N(C)CC(=O)OCC)co1.
What is the InChIKey of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate?
The InChIKey is FZPVQCWBHIDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O7/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-32-25-26-21(19-34-25)24(30)33-20-22(28)27(3)18-23(29)31-5-2/h19H,4-18,20H2,1-3H3.
What are the key properties of [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate?
[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate has a molecular weight of 482.62 g/mol, XLogP of 4.93, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 2-tetradecoxy-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 169131531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).