ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate

C22H23NO5 — CID 24757918

IUPACethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C22H23NO5/c1-3-26-19(24)13-17-16-12-15(14-8-6-5-7-9-14)10-11-18(16)28-21(23)20(17)22(25)27-4-2/h5-12,17H,3-4,13,23H2,1-2H3
InChIKeySKRXDYLNZWOTRL-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.52
Rot. Bonds6

About ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate

ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate (PubChem CID 24757918) 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)-6-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate
PubChem CID24757918
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C22H23NO5/c1-3-26-19(24)13-17-16-12-15(14-8-6-5-7-9-14)10-11-18(16)28-21(23)20(17)22(25)27-4-2/h5-12,17H,3-4,13,23H2,1-2H3
InChIKeySKRXDYLNZWOTRL-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)-6-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate (CID 24757918) is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate is CCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccc3)cc21.
What is the InChIKey of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate?
The InChIKey is SKRXDYLNZWOTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-26-19(24)13-17-16-12-15(14-8-6-5-7-9-14)10-11-18(16)28-21(23)20(17)22(25)27-4-2/h5-12,17H,3-4,13,23H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate?
ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-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)-6-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 24757918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).