5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C19H26N2O3 — CID 4837208

IUPAC5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CC(CC)(CN(C1)C3c1cccc(OC)c1O)C2=O
InChIInChI=1S/C19H26N2O3/c1-4-18-9-20-11-19(5-2,17(18)23)12-21(10-18)16(20)13-7-6-8-14(24-3)15(13)22/h6-8,16,22H,4-5,9-12H2,1-3H3
InChIKeyNODXYYBOFCJSPB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.41
Rot. Bonds4

About 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 4837208) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID4837208
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CC(CC)(CN(C1)C3c1cccc(OC)c1O)C2=O
InChIInChI=1S/C19H26N2O3/c1-4-18-9-20-11-19(5-2,17(18)23)12-21(10-18)16(20)13-7-6-8-14(24-3)15(13)22/h6-8,16,22H,4-5,9-12H2,1-3H3
InChIKeyNODXYYBOFCJSPB-UHFFFAOYSA-N
XLogP2.41
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one with MolForge

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Related Compounds

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2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol
CID 178197018
2,3-dihydroxy-1-(2-hydroxy-3-methoxyphenyl)propan-1-one
CID 141355227
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021
ethyl (4S)-4-(2-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 976607
(1R,3R,3aS,6aS)-3-ethyl-1-(2-hydroxy-3-methoxyphenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
CID 7291497
(1S,3S,3aR,6aS)-3-ethyl-1-(2-hydroxy-3-methoxyphenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
CID 124767036
2-(2,4-dihydroxyphenyl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 752758
(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-hydroxy-3-methoxyphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CID 6637848
2-(2-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1-methyl-2H-quinazolin-4-one
CID 42937122

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 4837208) is 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCC12CN3CC(CC)(CN(C1)C3c1cccc(OC)c1O)C2=O.
What is the InChIKey of 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is NODXYYBOFCJSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-18-9-20-11-19(5-2,17(18)23)12-21(10-18)16(20)13-7-6-8-14(24-3)15(13)22/h6-8,16,22H,4-5,9-12H2,1-3H3.
What are the key properties of 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 330.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 4837208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).