2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate

C15H28N2O5 — CID 144815337

IUPAC2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate
SMILESC=C(C)C(CC)CC(=O)OCCN(COC)C(=O)NCOC
InChIInChI=1S/C15H28N2O5/c1-6-13(12(2)3)9-14(18)22-8-7-17(11-21-5)15(19)16-10-20-4/h13H,2,6-11H2,1,3-5H3,(H,16,19)
InChIKeyGGEHTOLFHMKORP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.74
Rot. Bonds11

About 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate

2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate (PubChem CID 144815337) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate.

Molecular Properties

Compound Name2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate
PubChem CID144815337
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Name2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate
SMILESC=C(C)C(CC)CC(=O)OCCN(COC)C(=O)NCOC
InChIInChI=1S/C15H28N2O5/c1-6-13(12(2)3)9-14(18)22-8-7-17(11-21-5)15(19)16-10-20-4/h13H,2,6-11H2,1,3-5H3,(H,16,19)
InChIKeyGGEHTOLFHMKORP-UHFFFAOYSA-N
XLogP1.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate?
The IUPAC name of 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate (CID 144815337) is 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate.
What is the SMILES notation for 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate?
The canonical SMILES for 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate is C=C(C)C(CC)CC(=O)OCCN(COC)C(=O)NCOC.
What is the InChIKey of 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate?
The InChIKey is GGEHTOLFHMKORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-6-13(12(2)3)9-14(18)22-8-7-17(11-21-5)15(19)16-10-20-4/h13H,2,6-11H2,1,3-5H3,(H,16,19).
What are the key properties of 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate?
2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate has a molecular weight of 316.40 g/mol, XLogP of 1.74, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxymethyl(methoxymethylcarbamoyl)amino]ethyl 3-ethyl-4-methylpent-4-enoate is sourced from PubChem (CID 144815337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).