10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

C21H23NO2 — CID 24837498

IUPAC10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
SMILESCCN(CC)CCOc1cc(=O)c2ccccc2c2ccccc12
InChIInChI=1S/C21H23NO2/c1-3-22(4-2)13-14-24-21-15-20(23)18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyXHKYONKOSQKQRJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.07
Rot. Bonds6

About 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one (PubChem CID 24837498) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.

Molecular Properties

Compound Name10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
PubChem CID24837498
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
SMILESCCN(CC)CCOc1cc(=O)c2ccccc2c2ccccc12
InChIInChI=1S/C21H23NO2/c1-3-22(4-2)13-14-24-21-15-20(23)18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyXHKYONKOSQKQRJ-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Elucaine
CID 32331
Ethanaminium, N,N,N-trimethyl-2-((2-methylbenzoyl)oxy)-, iodide (1:1)
CID 193633
2-(3-acetylphenyl)-6-morpholino-4H-pyran-4-one
CID 16203469
2-[Benzyl(methyl)amino]ethyl 2-methylbenzoate hydrochloride
CID 2930086
10-(dimethylamino)-9-methyl-10H-phenaleno[1,2-b]pyran-7-one
CID 2908173
1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-(2-ethenylphenyl)hexan-1-one
CID 132183739
Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester
CID 60287
Biphenyl-2-carboxylic acid 3-diethylamino-propyl ester
CID 128158
2-(4-Morpholinyl)ethyl 2-methylbenzoate hydrochloride
CID 2928519
2-Phenethyl-benzoic acid 2-diethylamino-ethyl ester
CID 13640200
2-Phenethyl-benzoic acid 3-diethylamino-propyl ester
CID 13640202
Biphenyl-2-carboxylic acid 2-diethylamino-ethyl ester
CID 13640204

Frequently Asked Questions

What is the IUPAC name of 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The IUPAC name of 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one (CID 24837498) is 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.
What is the SMILES notation for 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The canonical SMILES for 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one is CCN(CC)CCOc1cc(=O)c2ccccc2c2ccccc12.
What is the InChIKey of 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The InChIKey is XHKYONKOSQKQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-3-22(4-2)13-14-24-21-15-20(23)18-11-7-5-9-16(18)17-10-6-8-12-19(17)21/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one has a molecular weight of 321.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one is sourced from PubChem (CID 24837498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).