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

C20H24N2O4 — CID 12811915

IUPAC2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCCOC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-21(2)17-9-5-15(6-10-17)19(23)25-13-14-26-20(24)16-7-11-18(12-8-16)22(3)4/h5-12H,13-14H2,1-4H3
InChIKeyKSUPSOHASWEFBX-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.83
Rot. Bonds7

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

2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate (PubChem CID 12811915) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
PubChem CID12811915
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCCOC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-21(2)17-9-5-15(6-10-17)19(23)25-13-14-26-20(24)16-7-11-18(12-8-16)22(3)4/h5-12H,13-14H2,1-4H3
InChIKeyKSUPSOHASWEFBX-UHFFFAOYSA-N
XLogP2.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
CID 70858409
CID 70858409
2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate
CID 141413988
2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate
CID 152620766
2-(ethylamino)ethyl 4-(dimethylamino)benzoate
CID 71098016
2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]ethyl 4-(dimethylamino)benzoate
CID 58027721
2-(2-methoxyethyldisulfanyl)ethyl 4-(dimethylamino)benzoate
CID 155017111
2-(3-iminobutanoyloxy)ethyl 4-(dimethylamino)benzoate
CID 54098147
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
nitrous acid;octyl 4-(dimethylamino)benzoate
CID 174402955
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228996
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate?
The IUPAC name of 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate (CID 12811915) is 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate.
What is the SMILES notation for 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate?
The canonical SMILES for 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCCOC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate?
The InChIKey is KSUPSOHASWEFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-21(2)17-9-5-15(6-10-17)19(23)25-13-14-26-20(24)16-7-11-18(12-8-16)22(3)4/h5-12H,13-14H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate?
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate has a molecular weight of 356.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 12811915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).