2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate

C23H31N3O4 — CID 59593952

IUPAC2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate
SMILESCN(CCOC(=O)c1ccc(N(C)C)cc1)CCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C23H31N3O4/c1-24(2)20-10-6-18(7-11-20)22(27)29-16-14-26(5)15-17-30-23(28)19-8-12-21(13-9-19)25(3)4/h6-13H,14-17H2,1-5H3
InChIKeyLKOQTCXPJVIMFO-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.76
Rot. Bonds10

About 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate

2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate (PubChem CID 59593952) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate
PubChem CID59593952
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate
SMILESCN(CCOC(=O)c1ccc(N(C)C)cc1)CCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C23H31N3O4/c1-24(2)20-10-6-18(7-11-20)22(27)29-16-14-26(5)15-17-30-23(28)19-8-12-21(13-9-19)25(3)4/h6-13H,14-17H2,1-5H3
InChIKeyLKOQTCXPJVIMFO-UHFFFAOYSA-N
XLogP2.76
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate?
The IUPAC name of 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate (CID 59593952) is 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate.
What is the SMILES notation for 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate?
The canonical SMILES for 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate is CN(CCOC(=O)c1ccc(N(C)C)cc1)CCOC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate?
The InChIKey is LKOQTCXPJVIMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-24(2)20-10-6-18(7-11-20)22(27)29-16-14-26(5)15-17-30-23(28)19-8-12-21(13-9-19)25(3)4/h6-13H,14-17H2,1-5H3.
What are the key properties of 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate?
2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate has a molecular weight of 413.52 g/mol, XLogP of 2.76, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)benzoyl]oxyethyl-methylamino]ethyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 59593952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).