[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate

C21H26N2O5 — CID 2515065

IUPAC[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C21H26N2O5/c1-5-23(6-2)17-9-7-15(8-10-17)21(25)28-14-20(24)22-16-11-18(26-3)13-19(12-16)27-4/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyLRLFFZFIEFNXPX-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.35
Rot. Bonds9

About [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate (PubChem CID 2515065) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate
PubChem CID2515065
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C21H26N2O5/c1-5-23(6-2)17-9-7-15(8-10-17)21(25)28-14-20(24)22-16-11-18(26-3)13-19(12-16)27-4/h7-13H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyLRLFFZFIEFNXPX-UHFFFAOYSA-N
XLogP3.35
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-aminobenzoate
CID 23859785
1-[4-(diethylamino)phenyl]-3-(3,5-dimethoxyphenyl)urea
CID 108869515
[2-(3-bromoanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 7666010
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2613656
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 55310705
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628902
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-iodobenzoate
CID 2555986
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538978
[2-(4-tert-butylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8528824
[2-(4-methoxyanilino)-2-oxoethyl] 4-formylbenzoate
CID 2417688
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate?
The IUPAC name of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate (CID 2515065) is [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate?
The InChIKey is LRLFFZFIEFNXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-5-23(6-2)17-9-7-15(8-10-17)21(25)28-14-20(24)22-16-11-18(26-3)13-19(12-16)27-4/h7-13H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate?
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate has a molecular weight of 386.45 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(diethylamino)benzoate is sourced from PubChem (CID 2515065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).