[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate

C19H27NO7 — CID 22943468

IUPAC[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)OC(C)(C)C)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO7/c1-12-8-9-13(17(24)25-11-15(22)27-19(5,6)7)16(23)20(12)10-14(21)26-18(2,3)4/h8-9H,10-11H2,1-7H3
InChIKeyFWOHWWRNHIZQEB-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.00
Rot. Bonds5

About [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate (PubChem CID 22943468) has the molecular formula C19H27NO7 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
PubChem CID22943468
Molecular FormulaC19H27NO7
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)OC(C)(C)C)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO7/c1-12-8-9-13(17(24)25-11-15(22)27-19(5,6)7)16(23)20(12)10-14(21)26-18(2,3)4/h8-9H,10-11H2,1-7H3
InChIKeyFWOHWWRNHIZQEB-UHFFFAOYSA-N
XLogP2.00
TPSA100.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2480657
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 35714241
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 46543957
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 70326272
tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
CID 22178631
tert-butyl 2-[6-methyl-2-oxo-3-[[(2R)-1-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl]amino]-1-pyridinyl]acetate
CID 20639595
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
tert-butyl 2-[4-(cyclohexylmethyl)-3,6-dimethyl-2-oxo-1-pyridinyl]acetate
CID 54038185
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 24530255
methyl 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzimidazole-4-carboxylate
CID 164884368
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazole-4-carboxylate
CID 130300143

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate (CID 22943468) is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate is Cc1ccc(C(=O)OCC(=O)OC(C)(C)C)c(=O)n1CC(=O)OC(C)(C)C.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The InChIKey is FWOHWWRNHIZQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO7/c1-12-8-9-13(17(24)25-11-15(22)27-19(5,6)7)16(23)20(12)10-14(21)26-18(2,3)4/h8-9H,10-11H2,1-7H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate?
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 22943468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).