[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

C22H19NO7 — CID 9080390

IUPAC[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C22H19NO7/c1-28-21(26)16(11-14-7-3-2-4-8-14)23-20(25)13-29-22(27)19-12-17(24)15-9-5-6-10-18(15)30-19/h2-10,12,16H,11,13H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyMFGNQRWYQWQIEO-INIZCTEOSA-N
MW409.39 g/mol
LogP1.85
Rot. Bonds7

About [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 9080390) has the molecular formula C22H19NO7 and a molecular weight of 409.39 g/mol. Its IUPAC name is [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID9080390
Molecular FormulaC22H19NO7
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Name[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C22H19NO7/c1-28-21(26)16(11-14-7-3-2-4-8-14)23-20(25)13-29-22(27)19-12-17(24)15-9-5-6-10-18(15)30-19/h2-10,12,16H,11,13H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyMFGNQRWYQWQIEO-INIZCTEOSA-N
XLogP1.85
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate with MolForge

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Related Compounds

[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080174
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397412
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
CID 55397418
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590779
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 55397267
2-methylpropyl 4-oxochromene-2-carboxylate
CID 11837284
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2435637
[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 98285207
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018457
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 55398580
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 2645963
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8644482

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 9080390) is [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is MFGNQRWYQWQIEO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19NO7/c1-28-21(26)16(11-14-7-3-2-4-8-14)23-20(25)13-29-22(27)19-12-17(24)15-9-5-6-10-18(15)30-19/h2-10,12,16H,11,13H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 409.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 9080390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).