[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate

C24H24N2O4 — CID 11014962

IUPAC[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate
SMILESCN(C)C(=O)Oc1cccnc1COC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O4/c1-24(18-11-6-4-7-12-18,19-13-8-5-9-14-19)22(27)29-17-20-21(15-10-16-25-20)30-23(28)26(2)3/h4-16H,17H2,1-3H3
InChIKeyHZBZOQXOPJJRLQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.19
Rot. Bonds6

About [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate

[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate (PubChem CID 11014962) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate.

Molecular Properties

Compound Name[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate
PubChem CID11014962
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate
SMILESCN(C)C(=O)Oc1cccnc1COC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O4/c1-24(18-11-6-4-7-12-18,19-13-8-5-9-14-19)22(27)29-17-20-21(15-10-16-25-20)30-23(28)26(2)3/h4-16H,17H2,1-3H3
InChIKeyHZBZOQXOPJJRLQ-UHFFFAOYSA-N
XLogP4.19
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate?
The IUPAC name of [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate (CID 11014962) is [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate.
What is the SMILES notation for [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate?
The canonical SMILES for [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate is CN(C)C(=O)Oc1cccnc1COC(=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate?
The InChIKey is HZBZOQXOPJJRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-24(18-11-6-4-7-12-18,19-13-8-5-9-14-19)22(27)29-17-20-21(15-10-16-25-20)30-23(28)26(2)3/h4-16H,17H2,1-3H3.
What are the key properties of [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate?
[3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate has a molecular weight of 404.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl 2,2-diphenylpropanoate is sourced from PubChem (CID 11014962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).