[2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate

C18H19NO4 — CID 2358432

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H19NO4/c1-19(2)14-10-8-13(9-11-14)18(21)23-12-16(20)15-6-4-5-7-17(15)22-3/h4-11H,12H2,1-3H3
InChIKeyYXZDNMPVEHOJQO-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.80
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate

[2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 2358432) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID2358432
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H19NO4/c1-19(2)14-10-8-13(9-11-14)18(21)23-12-16(20)15-6-4-5-7-17(15)22-3/h4-11H,12H2,1-3H3
InChIKeyYXZDNMPVEHOJQO-UHFFFAOYSA-N
XLogP2.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate (CID 2358432) is [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate is COc1ccccc1C(=O)COC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is YXZDNMPVEHOJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-19(2)14-10-8-13(9-11-14)18(21)23-12-16(20)15-6-4-5-7-17(15)22-3/h4-11H,12H2,1-3H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 313.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2358432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).