2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide

C20H30N2O3 — CID 90242258

IUPAC2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide
SMILESO=C(COC1CCCCC1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C20H30N2O3/c23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22/h4-7,18-19,23H,1-3,8-15H2,(H,21,24)
InChIKeyYZVVSUHJZOFGBT-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.87
Rot. Bonds7

About 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide

2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide (PubChem CID 90242258) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide
PubChem CID90242258
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide
SMILESO=C(COC1CCCCC1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C20H30N2O3/c23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22/h4-7,18-19,23H,1-3,8-15H2,(H,21,24)
InChIKeyYZVVSUHJZOFGBT-UHFFFAOYSA-N
XLogP1.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide (CID 90242258) is 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide is O=C(COC1CCCCC1)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide?
The InChIKey is YZVVSUHJZOFGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22/h4-7,18-19,23H,1-3,8-15H2,(H,21,24).
What are the key properties of 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide?
2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 90242258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).