N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide

C20H23NO4 — CID 95177159

IUPACN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@@]2(O)CCCc3ccccc32)c1OC
InChIInChI=1S/C20H23NO4/c1-24-17-11-5-9-15(18(17)25-2)19(22)21-13-20(23)12-6-8-14-7-3-4-10-16(14)20/h3-5,7,9-11,23H,6,8,12-13H2,1-2H3,(H,21,22)/t20-/m0/s1
InChIKeyUMIDASOAULOIOI-FQEVSTJZSA-N
MW341.41 g/mol
LogP2.66
Rot. Bonds5

About N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide

N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide (PubChem CID 95177159) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
PubChem CID95177159
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@@]2(O)CCCc3ccccc32)c1OC
InChIInChI=1S/C20H23NO4/c1-24-17-11-5-9-15(18(17)25-2)19(22)21-13-20(23)12-6-8-14-7-3-4-10-16(14)20/h3-5,7,9-11,23H,6,8,12-13H2,1-2H3,(H,21,22)/t20-/m0/s1
InChIKeyUMIDASOAULOIOI-FQEVSTJZSA-N
XLogP2.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide
CID 86972570
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110350
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 111110498
4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide
CID 86939098
2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide
CID 100731123

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide (CID 95177159) is N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC[C@@]2(O)CCCc3ccccc32)c1OC.
What is the InChIKey of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is UMIDASOAULOIOI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-17-11-5-9-15(18(17)25-2)19(22)21-13-20(23)12-6-8-14-7-3-4-10-16(14)20/h3-5,7,9-11,23H,6,8,12-13H2,1-2H3,(H,21,22)/t20-/m0/s1.
What are the key properties of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide?
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 95177159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).