methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate

C18H19NO4 — CID 894481

IUPACmethyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-19(2)16-10-8-15(9-11-16)18(21)23-12-13-4-6-14(7-5-13)17(20)22-3/h4-11H,12H2,1-3H3
InChIKeyVWWCYLFQRDHEIT-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.90
Rot. Bonds5

About methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate

methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate (PubChem CID 894481) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate
PubChem CID894481
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-19(2)16-10-8-15(9-11-16)18(21)23-12-13-4-6-14(7-5-13)17(20)22-3/h4-11H,12H2,1-3H3
InChIKeyVWWCYLFQRDHEIT-UHFFFAOYSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate (CID 894481) is methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate?
The InChIKey is VWWCYLFQRDHEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-19(2)16-10-8-15(9-11-16)18(21)23-12-13-4-6-14(7-5-13)17(20)22-3/h4-11H,12H2,1-3H3.
What are the key properties of methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate?
methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate has a molecular weight of 313.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(dimethylamino)benzoyl]oxymethyl]benzoate is sourced from PubChem (CID 894481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).