[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate

C20H23NO6 — CID 95181228

IUPAC[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc([C@@H](C)NC(=O)COC(=O)c2cccc(OC)c2OC)c1
InChIInChI=1S/C20H23NO6/c1-13(14-7-5-8-15(11-14)24-2)21-18(22)12-27-20(23)16-9-6-10-17(25-3)19(16)26-4/h5-11,13H,12H2,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyHVXSLCVIBJENKG-CYBMUJFWSA-N
MW373.41 g/mol
LogP2.75
Rot. Bonds8

About [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate

[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate (PubChem CID 95181228) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
PubChem CID95181228
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc([C@@H](C)NC(=O)COC(=O)c2cccc(OC)c2OC)c1
InChIInChI=1S/C20H23NO6/c1-13(14-7-5-8-15(11-14)24-2)21-18(22)12-27-20(23)16-9-6-10-17(25-3)19(16)26-4/h5-11,13H,12H2,1-4H3,(H,21,22)/t13-/m1/s1
InChIKeyHVXSLCVIBJENKG-CYBMUJFWSA-N
XLogP2.75
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 50929753
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203471
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 46860365
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203454
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 50929744
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 55397352
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
CID 2505113
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 95181203
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503626

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The IUPAC name of [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate (CID 95181228) is [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate.
What is the SMILES notation for [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The canonical SMILES for [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate is COc1cccc([C@@H](C)NC(=O)COC(=O)c2cccc(OC)c2OC)c1.
What is the InChIKey of [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The InChIKey is HVXSLCVIBJENKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23NO6/c1-13(14-7-5-8-15(11-14)24-2)21-18(22)12-27-20(23)16-9-6-10-17(25-3)19(16)26-4/h5-11,13H,12H2,1-4H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate?
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate has a molecular weight of 373.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate is sourced from PubChem (CID 95181228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).