4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one

C20H22N2O3 — CID 14010200

IUPAC4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one
SMILESCOc1ccc(C2CCNC(=O)N2)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C20H22N2O3/c1-24-18-7-6-15(17-8-9-21-20(23)22-17)12-19(18)25-16-10-13-4-2-3-5-14(13)11-16/h2-7,12,16-17H,8-11H2,1H3,(H2,21,22,23)
InChIKeyATPAZKGHQXNCBF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.99
Rot. Bonds4

About 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one

4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one (PubChem CID 14010200) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one
PubChem CID14010200
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one
SMILESCOc1ccc(C2CCNC(=O)N2)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C20H22N2O3/c1-24-18-7-6-15(17-8-9-21-20(23)22-17)12-19(18)25-16-10-13-4-2-3-5-14(13)11-16/h2-7,12,16-17H,8-11H2,1H3,(H2,21,22,23)
InChIKeyATPAZKGHQXNCBF-UHFFFAOYSA-N
XLogP2.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-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

4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
1-[(3S,4S)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-methylpyrrolidin-3-yl]ethanol
CID 59960731
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
CID 171252600
6-[4-methoxy-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)phenyl]-1,3-oxazinan-2-one
CID 21189814
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]benzamide
CID 10594629
5-[3-[[(5R)-3-bicyclo[3.2.1]octanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
CID 142187181
5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one
CID 68618244
(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
CID 171252695
methyl (3R)-4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-[(1S)-1-hydroxyethyl]-3-methylpyrrolidine-1-carboxylate
CID 58594698
6-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-2,7-dihydro-1H-pyrrolo[3,4-b]pyrazin-5-one
CID 142627898

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one (CID 14010200) is 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one is COc1ccc(C2CCNC(=O)N2)cc1OC1Cc2ccccc2C1.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one?
The InChIKey is ATPAZKGHQXNCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-18-7-6-15(17-8-9-21-20(23)22-17)12-19(18)25-16-10-13-4-2-3-5-14(13)11-16/h2-7,12,16-17H,8-11H2,1H3,(H2,21,22,23).
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one?
4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 14010200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).