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

C24H26N2O3 — CID 90241686

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H26N2O3/c27-21(16-26-13-12-18-6-1-2-8-20(18)15-26)14-25-24(28)17-29-23-11-5-9-19-7-3-4-10-22(19)23/h1-11,21,27H,12-17H2,(H,25,28)
InChIKeyUNBDNRTZHNCAJV-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.75
Rot. Bonds7

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

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 90241686) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide
PubChem CID90241686
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide
SMILESO=C(COc1cccc2ccccc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C24H26N2O3/c27-21(16-26-13-12-18-6-1-2-8-20(18)15-26)14-25-24(28)17-29-23-11-5-9-19-7-3-4-10-22(19)23/h1-11,21,27H,12-17H2,(H,25,28)
InChIKeyUNBDNRTZHNCAJV-UHFFFAOYSA-N
XLogP2.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
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-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide (CID 90241686) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide is O=C(COc1cccc2ccccc12)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is UNBDNRTZHNCAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-21(16-26-13-12-18-6-1-2-8-20(18)15-26)14-25-24(28)17-29-23-11-5-9-19-7-3-4-10-22(19)23/h1-11,21,27H,12-17H2,(H,25,28).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 390.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 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-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 90241686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).