8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one

C24H26N2O5 — CID 90919315

IUPAC8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one
SMILESCCN(CC)CCOc1cccc(C2c3cc4c(cc3N=C3COC(=O)C32)OCO4)c1
InChIInChI=1S/C24H26N2O5/c1-3-26(4-2)8-9-28-16-7-5-6-15(10-16)22-17-11-20-21(31-14-30-20)12-18(17)25-19-13-29-24(27)23(19)22/h5-7,10-12,22-23H,3-4,8-9,13-14H2,1-2H3
InChIKeyKLNABGKYTBRFQD-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.53
Rot. Bonds7

About 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one

8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one (PubChem CID 90919315) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one.

Molecular Properties

Compound Name8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one
PubChem CID90919315
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one
SMILESCCN(CC)CCOc1cccc(C2c3cc4c(cc3N=C3COC(=O)C32)OCO4)c1
InChIInChI=1S/C24H26N2O5/c1-3-26(4-2)8-9-28-16-7-5-6-15(10-16)22-17-11-20-21(31-14-30-20)12-18(17)25-19-13-29-24(27)23(19)22/h5-7,10-12,22-23H,3-4,8-9,13-14H2,1-2H3
InChIKeyKLNABGKYTBRFQD-UHFFFAOYSA-N
XLogP3.53
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one with MolForge

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Related Compounds

N,N-diethyl-2-[3-(2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)phenoxy]ethanamine
CID 4274536
7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one
CID 141195372
2-[3-(6-ethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenoxy]-N,N-diethylethanamine
CID 5132906
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
1-[3-[2-(diethylamino)ethoxy]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 3500939
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 2993847
N,N-diethyl-2-[[1-[3-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
CID 5022953
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
(5S,5aR,8aR,9R)-5-[2-(diethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CID 18647635
3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
CID 142069060

Frequently Asked Questions

What is the IUPAC name of 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one?
The IUPAC name of 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one (CID 90919315) is 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one.
What is the SMILES notation for 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one?
The canonical SMILES for 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one is CCN(CC)CCOc1cccc(C2c3cc4c(cc3N=C3COC(=O)C32)OCO4)c1.
What is the InChIKey of 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one?
The InChIKey is KLNABGKYTBRFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-3-26(4-2)8-9-28-16-7-5-6-15(10-16)22-17-11-20-21(31-14-30-20)12-18(17)25-19-13-29-24(27)23(19)22/h5-7,10-12,22-23H,3-4,8-9,13-14H2,1-2H3.
What are the key properties of 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one?
8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one has a molecular weight of 422.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2-(diethylamino)ethoxy]phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one is sourced from PubChem (CID 90919315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).