[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate

C32H25NO6 — CID 101482306

IUPAC[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](OC(=O)[C@H](Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25NO6/c1-37-32(36)30(23-15-9-4-10-16-23)39-31(35)29(22-13-7-3-8-14-22)33-24-17-18-27-25(19-24)26(34)20-28(38-27)21-11-5-2-6-12-21/h2-20,29-30,33H,1H3/t29-,30+/m1/s1
InChIKeyYZPGSLXJNPGUQO-IHLOFXLRSA-N
MW519.55 g/mol
LogP6.07
Rot. Bonds8

About [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate

[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate (PubChem CID 101482306) has the molecular formula C32H25NO6 and a molecular weight of 519.55 g/mol. Its IUPAC name is [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Name[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate
PubChem CID101482306
Molecular FormulaC32H25NO6
Molecular Weight519.55 g/mol
Exact Mass519.17
IUPAC Name[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](OC(=O)[C@H](Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25NO6/c1-37-32(36)30(23-15-9-4-10-16-23)39-31(35)29(22-13-7-3-8-14-22)33-24-17-18-27-25(19-24)26(34)20-28(38-27)21-11-5-2-6-12-21/h2-20,29-30,33H,1H3/t29-,30+/m1/s1
InChIKeyYZPGSLXJNPGUQO-IHLOFXLRSA-N
XLogP6.07
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.55
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate with MolForge

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Related Compounds

3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274479
N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide
CID 18568668
2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274473
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
propyl 2-(4-oxo-2-phenylchromen-6-yl)propanoate
CID 22763960
6-[3-(methylamino)-1-phenylpropoxy]-2-phenylchromen-4-one
CID 21287354
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide
CID 42506836
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate
CID 11327979

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate?
The IUPAC name of [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate (CID 101482306) is [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate.
What is the SMILES notation for [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate?
The canonical SMILES for [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate is COC(=O)[C@@H](OC(=O)[C@H](Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate?
The InChIKey is YZPGSLXJNPGUQO-IHLOFXLRSA-N. The full InChI is InChI=1S/C32H25NO6/c1-37-32(36)30(23-15-9-4-10-16-23)39-31(35)29(22-13-7-3-8-14-22)33-24-17-18-27-25(19-24)26(34)20-28(38-27)21-11-5-2-6-12-21/h2-20,29-30,33H,1H3/t29-,30+/m1/s1.
What are the key properties of [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate?
[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate has a molecular weight of 519.55 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate is sourced from PubChem (CID 101482306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).