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

C20H24N2O3 — CID 90328842

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NCC(O)CN1CCc2ccccc2C1)C(O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c23-18(12-21-20(25)19(24)16-7-2-1-3-8-16)14-22-11-10-15-6-4-5-9-17(15)13-22/h1-9,18-19,23-24H,10-14H2,(H,21,25)
InChIKeyCSHCDJYSGJYKAD-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.26
Rot. Bonds6

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

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide (PubChem CID 90328842) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
PubChem CID90328842
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NCC(O)CN1CCc2ccccc2C1)C(O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c23-18(12-21-20(25)19(24)16-7-2-1-3-8-16)14-22-11-10-15-6-4-5-9-17(15)13-22/h1-9,18-19,23-24H,10-14H2,(H,21,25)
InChIKeyCSHCDJYSGJYKAD-UHFFFAOYSA-N
XLogP1.26
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide (CID 90328842) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide is O=C(NCC(O)CN1CCc2ccccc2C1)C(O)c1ccccc1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is CSHCDJYSGJYKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18(12-21-20(25)19(24)16-7-2-1-3-8-16)14-22-11-10-15-6-4-5-9-17(15)13-22/h1-9,18-19,23-24H,10-14H2,(H,21,25).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 340.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 90328842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).