3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one

C24H32N2O4 — CID 142069060

IUPAC3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
SMILESCCN(C)CCOc1ccc2c(=O)c3ccc(OCCN(CC)CC)cc3oc2c1
InChIInChI=1S/C24H32N2O4/c1-5-25(4)12-14-28-18-8-10-20-22(16-18)30-23-17-19(9-11-21(23)24(20)27)29-15-13-26(6-2)7-3/h8-11,16-17H,5-7,12-15H2,1-4H3
InChIKeyUCOHHTFCLIWDEQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.00
Rot. Bonds11

About 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one

3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one (PubChem CID 142069060) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
PubChem CID142069060
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
SMILESCCN(C)CCOc1ccc2c(=O)c3ccc(OCCN(CC)CC)cc3oc2c1
InChIInChI=1S/C24H32N2O4/c1-5-25(4)12-14-28-18-8-10-20-22(16-18)30-23-17-19(9-11-21(23)24(20)27)29-15-13-26(6-2)7-3/h8-11,16-17H,5-7,12-15H2,1-4H3
InChIKeyUCOHHTFCLIWDEQ-UHFFFAOYSA-N
XLogP4.00
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
CID 154225288
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560
4-bromo-6-[2-(diethylamino)ethoxy]-1,3-dimethoxyxanthen-9-one
CID 163444689
3,6-bis[2-(propylamino)ethoxy]xanthen-9-one
CID 57439577
7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one
CID 141398776
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54374565
3,6-bis(2-methoxyethoxymethoxy)xanthen-9-one
CID 86228251
3-chloro-6-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 59242964
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666
7-[2-(dimethylamino)ethoxy]-2-methylchromen-4-one
CID 110174145

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one?
The IUPAC name of 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one (CID 142069060) is 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one is CCN(C)CCOc1ccc2c(=O)c3ccc(OCCN(CC)CC)cc3oc2c1.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one?
The InChIKey is UCOHHTFCLIWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-5-25(4)12-14-28-18-8-10-20-22(16-18)30-23-17-19(9-11-21(23)24(20)27)29-15-13-26(6-2)7-3/h8-11,16-17H,5-7,12-15H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one?
3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one has a molecular weight of 412.53 g/mol, XLogP of 4.00, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one is sourced from PubChem (CID 142069060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).