ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate

C22H23NO5 — CID 25074092

IUPACethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2cccc(-c3ccccc3)c21
InChIInChI=1S/C22H23NO5/c1-3-26-18(24)13-16-19-15(14-9-6-5-7-10-14)11-8-12-17(19)28-21(23)20(16)22(25)27-4-2/h5-12,16H,3-4,13,23H2,1-2H3
InChIKeyOGXIABMTDFOTOT-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.52
Rot. Bonds6

About ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate

ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate (PubChem CID 25074092) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate
PubChem CID25074092
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2cccc(-c3ccccc3)c21
InChIInChI=1S/C22H23NO5/c1-3-26-18(24)13-16-19-15(14-9-6-5-7-10-14)11-8-12-17(19)28-21(23)20(16)22(25)27-4-2/h5-12,16H,3-4,13,23H2,1-2H3
InChIKeyOGXIABMTDFOTOT-UHFFFAOYSA-N
XLogP3.52
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate (CID 25074092) is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate is CCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2cccc(-c3ccccc3)c21.
What is the InChIKey of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate?
The InChIKey is OGXIABMTDFOTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-26-18(24)13-16-19-15(14-9-6-5-7-10-14)11-8-12-17(19)28-21(23)20(16)22(25)27-4-2/h5-12,16H,3-4,13,23H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate?
ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 25074092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).