[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate

C20H22N2O5 — CID 95181203

IUPAC[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
SMILESCOc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C20H22N2O5/c1-13(16-5-4-6-18(11-16)26-3)21-19(24)12-27-20(25)15-7-9-17(10-8-15)22-14(2)23/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyJYEGBZZFGVEPLZ-CYBMUJFWSA-N
MW370.41 g/mol
LogP2.69
Rot. Bonds7

About [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate

[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 95181203) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
PubChem CID95181203
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
SMILESCOc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C20H22N2O5/c1-13(16-5-4-6-18(11-16)26-3)21-19(24)12-27-20(25)15-7-9-17(10-8-15)22-14(2)23/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyJYEGBZZFGVEPLZ-CYBMUJFWSA-N
XLogP2.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate with MolForge

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Related Compounds

[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 50929606
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 50929744
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 46860365
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
CID 7654146
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 95181228
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 50929753
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 8529508
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860533
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7949746
1-(4-acetylphenyl)-3-[(1S)-1-(3-methoxyphenyl)ethyl]thiourea
CID 970275
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7654378

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate (CID 95181203) is [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate is COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is JYEGBZZFGVEPLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(16-5-4-6-18(11-16)26-3)21-19(24)12-27-20(25)15-7-9-17(10-8-15)22-14(2)23/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate?
[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 95181203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).