1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone

C23H34N2O3 — CID 59396279

IUPAC1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone
SMILESO=C(CNCC1(O)CCOCC1)N1CCc2ccccc2C1C1CCCCC1
InChIInChI=1S/C23H34N2O3/c26-21(16-24-17-23(27)11-14-28-15-12-23)25-13-10-18-6-4-5-9-20(18)22(25)19-7-2-1-3-8-19/h4-6,9,19,22,24,27H,1-3,7-8,10-17H2
InChIKeyUOONHBJDTZVJOU-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.82
Rot. Bonds5

About 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone

1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone (PubChem CID 59396279) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone.

Molecular Properties

Compound Name1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone
PubChem CID59396279
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone
SMILESO=C(CNCC1(O)CCOCC1)N1CCc2ccccc2C1C1CCCCC1
InChIInChI=1S/C23H34N2O3/c26-21(16-24-17-23(27)11-14-28-15-12-23)25-13-10-18-6-4-5-9-20(18)22(25)19-7-2-1-3-8-19/h4-6,9,19,22,24,27H,1-3,7-8,10-17H2
InChIKeyUOONHBJDTZVJOU-UHFFFAOYSA-N
XLogP2.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone?
The IUPAC name of 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone (CID 59396279) is 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone.
What is the SMILES notation for 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone?
The canonical SMILES for 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone is O=C(CNCC1(O)CCOCC1)N1CCc2ccccc2C1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone?
The InChIKey is UOONHBJDTZVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c26-21(16-24-17-23(27)11-14-28-15-12-23)25-13-10-18-6-4-5-9-20(18)22(25)19-7-2-1-3-8-19/h4-6,9,19,22,24,27H,1-3,7-8,10-17H2.
What are the key properties of 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone?
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone has a molecular weight of 386.54 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-hydroxyoxan-4-yl)methylamino]ethanone is sourced from PubChem (CID 59396279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).