[3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate

C23H31N3O4 — CID 138557842

IUPAC[3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
SMILESCOc1c(C)cnc(CNC(=O)Oc2cc(C)cc(N3CC(C)OC(C)C3)c2)c1C
InChIInChI=1S/C23H31N3O4/c1-14-7-19(26-12-16(3)29-17(4)13-26)9-20(8-14)30-23(27)25-11-21-18(5)22(28-6)15(2)10-24-21/h7-10,16-17H,11-13H2,1-6H3,(H,25,27)
InChIKeyXOSDNQZFFIXDLR-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.92
Rot. Bonds5

About [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate

[3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate (PubChem CID 138557842) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Name[3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
PubChem CID138557842
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name[3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate
SMILESCOc1c(C)cnc(CNC(=O)Oc2cc(C)cc(N3CC(C)OC(C)C3)c2)c1C
InChIInChI=1S/C23H31N3O4/c1-14-7-19(26-12-16(3)29-17(4)13-26)9-20(8-14)30-23(27)25-11-21-18(5)22(28-6)15(2)10-24-21/h7-10,16-17H,11-13H2,1-6H3,(H,25,27)
InChIKeyXOSDNQZFFIXDLR-UHFFFAOYSA-N
XLogP3.92
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate (CID 138557842) is [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate.
What is the SMILES notation for [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The canonical SMILES for [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate is COc1c(C)cnc(CNC(=O)Oc2cc(C)cc(N3CC(C)OC(C)C3)c2)c1C.
What is the InChIKey of [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
The InChIKey is XOSDNQZFFIXDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-14-7-19(26-12-16(3)29-17(4)13-26)9-20(8-14)30-23(27)25-11-21-18(5)22(28-6)15(2)10-24-21/h7-10,16-17H,11-13H2,1-6H3,(H,25,27).
What are the key properties of [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate?
[3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate has a molecular weight of 413.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylmorpholin-4-yl)-5-methylphenyl] N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamate is sourced from PubChem (CID 138557842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).