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

C23H25NO6 — CID 53466470

IUPACethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(OC)c3)cc21
InChIInChI=1S/C23H25NO6/c1-4-28-20(25)13-18-17-12-15(14-7-6-8-16(11-14)27-3)9-10-19(17)30-22(24)21(18)23(26)29-5-2/h6-12,18H,4-5,13,24H2,1-3H3
InChIKeyIRUKUCCIVWCSLV-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.52
Rot. Bonds7

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

ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate (PubChem CID 53466470) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate
PubChem CID53466470
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(OC)c3)cc21
InChIInChI=1S/C23H25NO6/c1-4-28-20(25)13-18-17-12-15(14-7-6-8-16(11-14)27-3)9-10-19(17)30-22(24)21(18)23(26)29-5-2/h6-12,18H,4-5,13,24H2,1-3H3
InChIKeyIRUKUCCIVWCSLV-UHFFFAOYSA-N
XLogP3.52
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate (CID 53466470) is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate is CCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(OC)c3)cc21.
What is the InChIKey of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate?
The InChIKey is IRUKUCCIVWCSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-4-28-20(25)13-18-17-12-15(14-7-6-8-16(11-14)27-3)9-10-19(17)30-22(24)21(18)23(26)29-5-2/h6-12,18H,4-5,13,24H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate?
ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate has a molecular weight of 411.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(3-methoxyphenyl)-4H-chromene-3-carboxylate is sourced from PubChem (CID 53466470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).