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

C24H26N2O2 — CID 32924567

IUPACN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide
SMILESC[C@@H](CNC(=O)COc1ccc2ccccc2c1)N1CCc2ccccc2C1
InChIInChI=1S/C24H26N2O2/c1-18(26-13-12-20-7-3-5-9-22(20)16-26)15-25-24(27)17-28-23-11-10-19-6-2-4-8-21(19)14-23/h2-11,14,18H,12-13,15-17H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeyYJZFMLGGFFEKEF-SFHVURJKSA-N
MW374.48 g/mol
LogP3.78
Rot. Bonds6

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

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 32924567) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide
PubChem CID32924567
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide
SMILESC[C@@H](CNC(=O)COc1ccc2ccccc2c1)N1CCc2ccccc2C1
InChIInChI=1S/C24H26N2O2/c1-18(26-13-12-20-7-3-5-9-22(20)16-26)15-25-24(27)17-28-23-11-10-19-6-2-4-8-21(19)14-23/h2-11,14,18H,12-13,15-17H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeyYJZFMLGGFFEKEF-SFHVURJKSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 32923763
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 95018212
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 16931923
4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]benzamide
CID 95234085
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]propyl]acetamide
CID 3635526
2-[4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]phenyl]acetamide
CID 95586206
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 119868155
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 90582269
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
3-(2-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]propanamide
CID 60506646

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide (CID 32924567) is N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide is C[C@@H](CNC(=O)COc1ccc2ccccc2c1)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is YJZFMLGGFFEKEF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(26-13-12-20-7-3-5-9-22(20)16-26)15-25-24(27)17-28-23-11-10-19-6-2-4-8-21(19)14-23/h2-11,14,18H,12-13,15-17H2,1H3,(H,25,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide?
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 374.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 32924567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).