[2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

C20H25NO5 — CID 9080327

IUPAC[2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCCC[C@@H](CC)CNC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H25NO5/c1-3-5-8-14(4-2)12-21-19(23)13-25-20(24)18-11-16(22)15-9-6-7-10-17(15)26-18/h6-7,9-11,14H,3-5,8,12-13H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyLDZSYOLMNMGILA-CQSZACIVSA-N
MW359.42 g/mol
LogP3.28
Rot. Bonds9

About [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 9080327) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID9080327
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name[2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCCC[C@@H](CC)CNC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H25NO5/c1-3-5-8-14(4-2)12-21-19(23)13-25-20(24)18-11-16(22)15-9-6-7-10-17(15)26-18/h6-7,9-11,14H,3-5,8,12-13H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyLDZSYOLMNMGILA-CQSZACIVSA-N
XLogP3.28
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate with MolForge

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Related Compounds

pentyl 4-oxochromene-2-carboxylate
CID 141077364
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2435637
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 2645963
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080377
[2-(butylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729302
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080390
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080174
2-methylpropyl 4-oxochromene-2-carboxylate
CID 11837284
[2-oxo-2-(pentylamino)ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541109
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864
[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2689437

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 9080327) is [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is CCCC[C@@H](CC)CNC(=O)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is LDZSYOLMNMGILA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25NO5/c1-3-5-8-14(4-2)12-21-19(23)13-25-20(24)18-11-16(22)15-9-6-7-10-17(15)26-18/h6-7,9-11,14H,3-5,8,12-13H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 359.42 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 9080327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).