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

C21H25NO3 — CID 86939098

IUPAC4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCC2(O)CCCc3ccccc32)cc1C
InChIInChI=1S/C21H25NO3/c1-3-25-19-11-10-17(13-15(19)2)20(23)22-14-21(24)12-6-8-16-7-4-5-9-18(16)21/h4-5,7,9-11,13,24H,3,6,8,12,14H2,1-2H3,(H,22,23)
InChIKeyQTDAOLISDKIHOS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.35
Rot. Bonds5

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

4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide (PubChem CID 86939098) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide
PubChem CID86939098
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCC2(O)CCCc3ccccc32)cc1C
InChIInChI=1S/C21H25NO3/c1-3-25-19-11-10-17(13-15(19)2)20(23)22-14-21(24)12-6-8-16-7-4-5-9-18(16)21/h4-5,7,9-11,13,24H,3,6,8,12,14H2,1-2H3,(H,22,23)
InChIKeyQTDAOLISDKIHOS-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]pyridine-4-carboxamide
CID 111110496
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
4-amino-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-nitrobenzamide
CID 95177190
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 111110498
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
CID 95177159
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103
2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide
CID 86972570
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide?
The IUPAC name of 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide (CID 86939098) is 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide is CCOc1ccc(C(=O)NCC2(O)CCCc3ccccc32)cc1C.
What is the InChIKey of 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide?
The InChIKey is QTDAOLISDKIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-25-19-11-10-17(13-15(19)2)20(23)22-14-21(24)12-6-8-16-7-4-5-9-18(16)21/h4-5,7,9-11,13,24H,3,6,8,12,14H2,1-2H3,(H,22,23).
What are the key properties of 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide?
4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 86939098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).