4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one

C19H19N3O3 — CID 11515563

IUPAC4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
SMILESCCN(CCO)Cc1ccc2c(c1)-c1n[nH]c(=O)c3cccc(c13)O2
InChIInChI=1S/C19H19N3O3/c1-2-22(8-9-23)11-12-6-7-15-14(10-12)18-17-13(19(24)21-20-18)4-3-5-16(17)25-15/h3-7,10,23H,2,8-9,11H2,1H3,(H,21,24)
InChIKeyDHEPDJXAXMZNKW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.51
Rot. Bonds5

About 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one

4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one (PubChem CID 11515563) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one.

Molecular Properties

Compound Name4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
PubChem CID11515563
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one
SMILESCCN(CCO)Cc1ccc2c(c1)-c1n[nH]c(=O)c3cccc(c13)O2
InChIInChI=1S/C19H19N3O3/c1-2-22(8-9-23)11-12-6-7-15-14(10-12)18-17-13(19(24)21-20-18)4-3-5-16(17)25-15/h3-7,10,23H,2,8-9,11H2,1H3,(H,21,24)
InChIKeyDHEPDJXAXMZNKW-UHFFFAOYSA-N
XLogP2.51
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one?
The IUPAC name of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one (CID 11515563) is 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one.
What is the SMILES notation for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one?
The canonical SMILES for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one is CCN(CCO)Cc1ccc2c(c1)-c1n[nH]c(=O)c3cccc(c13)O2.
What is the InChIKey of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one?
The InChIKey is DHEPDJXAXMZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-22(8-9-23)11-12-6-7-15-14(10-12)18-17-13(19(24)21-20-18)4-3-5-16(17)25-15/h3-7,10,23H,2,8-9,11H2,1H3,(H,21,24).
What are the key properties of 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one?
4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one has a molecular weight of 337.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-hydroxyethyl)amino]methyl]-8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaen-14-one is sourced from PubChem (CID 11515563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).