[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate

C23H29NO6 — CID 7758203

IUPAC[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccc(CCNC(=O)COC(=O)c2ccccc2OCC)cc1OCC
InChIInChI=1S/C23H29NO6/c1-4-27-19-10-8-7-9-18(19)23(26)30-16-22(25)24-14-13-17-11-12-20(28-5-2)21(15-17)29-6-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,25)
InChIKeyPDXUMLGPUHQLLN-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.40
Rot. Bonds12

About [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate

[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 7758203) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID7758203
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccc(CCNC(=O)COC(=O)c2ccccc2OCC)cc1OCC
InChIInChI=1S/C23H29NO6/c1-4-27-19-10-8-7-9-18(19)23(26)30-16-22(25)24-14-13-17-11-12-20(28-5-2)21(15-17)29-6-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,25)
InChIKeyPDXUMLGPUHQLLN-UHFFFAOYSA-N
XLogP3.40
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197497
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367363
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561758
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate (CID 7758203) is [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccc(CCNC(=O)COC(=O)c2ccccc2OCC)cc1OCC.
What is the InChIKey of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is PDXUMLGPUHQLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-4-27-19-10-8-7-9-18(19)23(26)30-16-22(25)24-14-13-17-11-12-20(28-5-2)21(15-17)29-6-3/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,25).
What are the key properties of [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate?
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 415.49 g/mol, XLogP of 3.40, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 7758203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).