2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one

C23H23NO4 — CID 54579201

IUPAC2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one
SMILESCOc1ccc(C2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc1
InChIInChI=1S/C23H23NO4/c1-27-17-7-5-14(6-8-17)21-18-11-15-3-2-4-16(15)12-19(18)24(9-10-25)20-13-28-23(26)22(20)21/h5-8,11-12,21,25H,2-4,9-10,13H2,1H3
InChIKeyWNGNHYKRYHCSIR-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one

2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one (PubChem CID 54579201) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one
PubChem CID54579201
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one
SMILESCOc1ccc(C2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc1
InChIInChI=1S/C23H23NO4/c1-27-17-7-5-14(6-8-17)21-18-11-15-3-2-4-16(15)12-19(18)24(9-10-25)20-13-28-23(26)22(20)21/h5-8,11-12,21,25H,2-4,9-10,13H2,1H3
InChIKeyWNGNHYKRYHCSIR-UHFFFAOYSA-N
XLogP2.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one?
The IUPAC name of 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one (CID 54579201) is 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one?
The canonical SMILES for 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one is COc1ccc(C2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc1.
What is the InChIKey of 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one?
The InChIKey is WNGNHYKRYHCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-27-17-7-5-14(6-8-17)21-18-11-15-3-2-4-16(15)12-19(18)24(9-10-25)20-13-28-23(26)22(20)21/h5-8,11-12,21,25H,2-4,9-10,13H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one?
2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one has a molecular weight of 377.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one is sourced from PubChem (CID 54579201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).