ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate

C22H23NO8 — CID 126480035

IUPACethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)OC1C(=O)c2cc(OC)ccc2O[C@H]1c1cccc(OC)c1
InChIInChI=1S/C22H23NO8/c1-4-29-18(24)12-23-22(26)31-21-19(25)16-11-15(28-3)8-9-17(16)30-20(21)13-6-5-7-14(10-13)27-2/h5-11,20-21H,4,12H2,1-3H3,(H,23,26)/t20-,21?/m0/s1
InChIKeyQARGSWCMJGRLCW-BGERDNNASA-N
MW429.43 g/mol
LogP2.68
Rot. Bonds7

About ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate

ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate (PubChem CID 126480035) has the molecular formula C22H23NO8 and a molecular weight of 429.43 g/mol. Its IUPAC name is ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate
PubChem CID126480035
Molecular FormulaC22H23NO8
Molecular Weight429.43 g/mol
Exact Mass429.14
IUPAC Nameethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate
SMILESCCOC(=O)CNC(=O)OC1C(=O)c2cc(OC)ccc2O[C@H]1c1cccc(OC)c1
InChIInChI=1S/C22H23NO8/c1-4-29-18(24)12-23-22(26)31-21-19(25)16-11-15(28-3)8-9-17(16)30-20(21)13-6-5-7-14(10-13)27-2/h5-11,20-21H,4,12H2,1-3H3,(H,23,26)/t20-,21?/m0/s1
InChIKeyQARGSWCMJGRLCW-BGERDNNASA-N
XLogP2.68
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R,3S)-2-[[(2S)-2-(3-bromo-4-methoxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]-3-methylpentanoate
CID 126480033
[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14539349
methyl (2S)-2-[[(2S)-7-methoxy-4-oxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-3-yl]oxycarbonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 126480029
ethyl 2-[(3-methoxyphenyl)carbamothioylamino]acetate
CID 2211509
(2S)-2-[(2,6-dichlorophenyl)methyl]-5-methoxy-1-benzofuran-3-one
CID 129382473
ethyl 2-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)acetate
CID 101494376
2-chloro-5-methoxy-1-benzofuran-3-one
CID 46187269
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one
CID 11808207
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
[(2S)-2-(1,3-benzodioxol-5-yl)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 126480114
ethyl 3-ethyl-6-(3-methoxyphenyl)-4-[(4-methylphenoxy)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 46149361

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate?
The IUPAC name of ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate (CID 126480035) is ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate is CCOC(=O)CNC(=O)OC1C(=O)c2cc(OC)ccc2O[C@H]1c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate?
The InChIKey is QARGSWCMJGRLCW-BGERDNNASA-N. The full InChI is InChI=1S/C22H23NO8/c1-4-29-18(24)12-23-22(26)31-21-19(25)16-11-15(28-3)8-9-17(16)30-20(21)13-6-5-7-14(10-13)27-2/h5-11,20-21H,4,12H2,1-3H3,(H,23,26)/t20-,21?/m0/s1.
What are the key properties of ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate?
ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate has a molecular weight of 429.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-6-methoxy-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]oxycarbonylamino]acetate is sourced from PubChem (CID 126480035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).