2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate

C22H28N2O4 — CID 25111

IUPAC2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate
SMILESCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCCN(CC)CC)cc1
InChIInChI=1S/C22H28N2O4/c1-4-24(5-2)15-16-28-22(26)17-11-13-18(14-12-17)23-21(25)19-9-7-8-10-20(19)27-6-3/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeyDWQFBECDUHHREM-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.84
Rot. Bonds10

About 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate

2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate (PubChem CID 25111) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate
PubChem CID25111
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate
SMILESCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCCN(CC)CC)cc1
InChIInChI=1S/C22H28N2O4/c1-4-24(5-2)15-16-28-22(26)17-11-13-18(14-12-17)23-21(25)19-9-7-8-10-20(19)27-6-3/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeyDWQFBECDUHHREM-UHFFFAOYSA-N
XLogP3.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Propoxycaine
CID 6843
Benorylate
CID 21102
Otilonium Bromide
CID 72092
Ethopabate
CID 6034
Propoxycaine Hydrochloride
CID 11078
Otilonium
CID 72093
N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
CID 122042
Methyl 4-(acetylamino)-2-methoxybenzoate
CID 77720
Hydroxytetracaine
CID 71630
Ncgc607
CID 46943210
Eterilate
CID 44258
Ambucaine
CID 8387

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate (CID 25111) is 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate is CCOc1ccccc1C(=O)Nc1ccc(C(=O)OCCN(CC)CC)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate?
The InChIKey is DWQFBECDUHHREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-24(5-2)15-16-28-22(26)17-11-13-18(14-12-17)23-21(25)19-9-7-8-10-20(19)27-6-3/h7-14H,4-6,15-16H2,1-3H3,(H,23,25).
What are the key properties of 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate?
2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate has a molecular weight of 384.48 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 25111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).