[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

C20H21NO6 — CID 7827628

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCNC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H21NO6/c1-25-15-9-7-14(8-10-15)17(22)13-27-19(23)11-12-21-20(24)16-5-3-4-6-18(16)26-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyMAFFWNHZMDYVJE-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.25
Rot. Bonds9

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827628) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827628
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCNC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H21NO6/c1-25-15-9-7-14(8-10-15)17(22)13-27-19(23)11-12-21-20(24)16-5-3-4-6-18(16)26-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyMAFFWNHZMDYVJE-UHFFFAOYSA-N
XLogP2.25
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-difluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827565
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 8676064
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827570
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827506
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827687
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827573
naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827559
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827702
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827628) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccc(C(=O)COC(=O)CCNC(=O)c2ccccc2OC)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is MAFFWNHZMDYVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-25-15-9-7-14(8-10-15)17(22)13-27-19(23)11-12-21-20(24)16-5-3-4-6-18(16)26-2/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 371.39 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).