ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate

C26H25NO5 — CID 25070653

IUPACethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C26H25NO5/c1-3-30-23(28)15-21-20-14-17(19-11-7-9-16-8-5-6-10-18(16)19)12-13-22(20)32-25(27)24(21)26(29)31-4-2/h5-14,21H,3-4,15,27H2,1-2H3
InChIKeyCQKIOQRVOQLLHW-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.67
Rot. Bonds6

About ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate

ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate (PubChem CID 25070653) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate
PubChem CID25070653
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Nameethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate
SMILESCCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C26H25NO5/c1-3-30-23(28)15-21-20-14-17(19-11-7-9-16-8-5-6-10-18(16)19)12-13-22(20)32-25(27)24(21)26(29)31-4-2/h5-14,21H,3-4,15,27H2,1-2H3
InChIKeyCQKIOQRVOQLLHW-UHFFFAOYSA-N
XLogP4.67
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.67
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-naphthalen-1-yl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate (CID 25070653) is ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate is CCOC(=O)CC1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate?
The InChIKey is CQKIOQRVOQLLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5/c1-3-30-23(28)15-21-20-14-17(19-11-7-9-16-8-5-6-10-18(16)19)12-13-22(20)32-25(27)24(21)26(29)31-4-2/h5-14,21H,3-4,15,27H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate?
ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-naphthalen-1-yl-4H-chromene-3-carboxylate has a molecular weight of 431.49 g/mol, XLogP of 4.67, 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-naphthalen-1-yl-4H-chromene-3-carboxylate is sourced from PubChem (CID 25070653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).