(3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate

C20H24N2O4 — CID 90093480

IUPAC(3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)OCc1ncccc1C(N)=O
InChIInChI=1S/C20H24N2O4/c1-12(2)14-7-5-8-15(13(3)4)18(14)26-20(24)25-11-17-16(19(21)23)9-6-10-22-17/h5-10,12-13H,11H2,1-4H3,(H2,21,23)
InChIKeyOJRRBNAXUOIWAU-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.14
Rot. Bonds6

About (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate

(3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate (PubChem CID 90093480) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate.

Molecular Properties

Compound Name(3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate
PubChem CID90093480
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)OCc1ncccc1C(N)=O
InChIInChI=1S/C20H24N2O4/c1-12(2)14-7-5-8-15(13(3)4)18(14)26-20(24)25-11-17-16(19(21)23)9-6-10-22-17/h5-10,12-13H,11H2,1-4H3,(H2,21,23)
InChIKeyOJRRBNAXUOIWAU-UHFFFAOYSA-N
XLogP4.14
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate?
The IUPAC name of (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate (CID 90093480) is (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate.
What is the SMILES notation for (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate?
The canonical SMILES for (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate is CC(C)c1cccc(C(C)C)c1OC(=O)OCc1ncccc1C(N)=O.
What is the InChIKey of (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate?
The InChIKey is OJRRBNAXUOIWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12(2)14-7-5-8-15(13(3)4)18(14)26-20(24)25-11-17-16(19(21)23)9-6-10-22-17/h5-10,12-13H,11H2,1-4H3,(H2,21,23).
What are the key properties of (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate?
(3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate has a molecular weight of 356.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate is sourced from PubChem (CID 90093480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).