oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine

C19H27NO6 — CID 2944019

IUPACoxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccc(OC(C)C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H25NO2.C2H2O4/c1-5-11-18(12-6-2)13-14-19-16-7-9-17(10-8-16)20-15(3)4;3-1(4)2(5)6/h5-10,15H,1-2,11-14H2,3-4H3;(H,3,4)(H,5,6)
InChIKeyPGUYEVKHRUNVLX-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.68
Rot. Bonds10

About oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine

oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 2944019) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameoxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID2944019
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Nameoxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccc(OC(C)C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H25NO2.C2H2O4/c1-5-11-18(12-6-2)13-14-19-16-7-9-17(10-8-16)20-15(3)4;3-1(4)2(5)6/h5-10,15H,1-2,11-14H2,3-4H3;(H,3,4)(H,5,6)
InChIKeyPGUYEVKHRUNVLX-UHFFFAOYSA-N
XLogP2.68
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 2944019) is oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOc1ccc(OC(C)C)cc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is PGUYEVKHRUNVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.C2H2O4/c1-5-11-18(12-6-2)13-14-19-16-7-9-17(10-8-16)20-15(3)4;3-1(4)2(5)6/h5-10,15H,1-2,11-14H2,3-4H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 365.43 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[2-(4-propan-2-yloxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 2944019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).