(3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate

C18H23NO6 — CID 70443250

IUPAC(3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate
SMILESCOC(=O)OC1=C(C)N(C)C(C)C(OC(=O)OC)C1c1ccccc1
InChIInChI=1S/C18H23NO6/c1-11-15(24-17(20)22-4)14(13-9-7-6-8-10-13)16(12(2)19(11)3)25-18(21)23-5/h6-11,14-15H,1-5H3
InChIKeyLWIHXBTULCFSEH-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.27
Rot. Bonds3

About (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate

(3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate (PubChem CID 70443250) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate.

Molecular Properties

Compound Name(3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate
PubChem CID70443250
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name(3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate
SMILESCOC(=O)OC1=C(C)N(C)C(C)C(OC(=O)OC)C1c1ccccc1
InChIInChI=1S/C18H23NO6/c1-11-15(24-17(20)22-4)14(13-9-7-6-8-10-13)16(12(2)19(11)3)25-18(21)23-5/h6-11,14-15H,1-5H3
InChIKeyLWIHXBTULCFSEH-UHFFFAOYSA-N
XLogP3.27
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate?
The IUPAC name of (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate (CID 70443250) is (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate.
What is the SMILES notation for (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate?
The canonical SMILES for (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate is COC(=O)OC1=C(C)N(C)C(C)C(OC(=O)OC)C1c1ccccc1.
What is the InChIKey of (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate?
The InChIKey is LWIHXBTULCFSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-11-15(24-17(20)22-4)14(13-9-7-6-8-10-13)16(12(2)19(11)3)25-18(21)23-5/h6-11,14-15H,1-5H3.
What are the key properties of (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate?
(3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate has a molecular weight of 349.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonyloxy-1,2,6-trimethyl-4-phenyl-3,4-dihydro-2H-pyridin-5-yl) methyl carbonate is sourced from PubChem (CID 70443250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).