3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine

C15H29NO6 — CID 20692293

IUPAC3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine
SMILESC=COCOCC(CN(C)CC(COCOC=C)OC)OC
InChIInChI=1S/C15H29NO6/c1-6-19-12-21-10-14(17-4)8-16(3)9-15(18-5)11-22-13-20-7-2/h6-7,14-15H,1-2,8-13H2,3-5H3
InChIKeyBJTJQTXOWTVPCQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.22
Rot. Bonds16

About 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine

3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine (PubChem CID 20692293) has the molecular formula C15H29NO6 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine
PubChem CID20692293
Molecular FormulaC15H29NO6
Molecular Weight319.40 g/mol
Exact Mass319.20
IUPAC Name3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine
SMILESC=COCOCC(CN(C)CC(COCOC=C)OC)OC
InChIInChI=1S/C15H29NO6/c1-6-19-12-21-10-14(17-4)8-16(3)9-15(18-5)11-22-13-20-7-2/h6-7,14-15H,1-2,8-13H2,3-5H3
InChIKeyBJTJQTXOWTVPCQ-UHFFFAOYSA-N
XLogP1.22
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine?
The IUPAC name of 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine (CID 20692293) is 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine is C=COCOCC(CN(C)CC(COCOC=C)OC)OC.
What is the InChIKey of 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine?
The InChIKey is BJTJQTXOWTVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO6/c1-6-19-12-21-10-14(17-4)8-16(3)9-15(18-5)11-22-13-20-7-2/h6-7,14-15H,1-2,8-13H2,3-5H3.
What are the key properties of 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine?
3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine has a molecular weight of 319.40 g/mol, XLogP of 1.22, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethoxy)-N-[3-(ethenoxymethoxy)-2-methoxypropyl]-2-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 20692293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).