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

C22H25NO3 — CID 86972570

IUPAC2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCCc2ccccc21)c1ccccc1OC1CCC1
InChIInChI=1S/C22H25NO3/c24-21(18-11-2-4-13-20(18)26-17-9-5-10-17)23-15-22(25)14-6-8-16-7-1-3-12-19(16)22/h1-4,7,11-13,17,25H,5-6,8-10,14-15H2,(H,23,24)
InChIKeyUUIDNITYZLZDQB-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.57
Rot. Bonds5

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

2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide (PubChem CID 86972570) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide
PubChem CID86972570
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCCc2ccccc21)c1ccccc1OC1CCC1
InChIInChI=1S/C22H25NO3/c24-21(18-11-2-4-13-20(18)26-17-9-5-10-17)23-15-22(25)14-6-8-16-7-1-3-12-19(16)22/h1-4,7,11-13,17,25H,5-6,8-10,14-15H2,(H,23,24)
InChIKeyUUIDNITYZLZDQB-UHFFFAOYSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111539711
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
CID 95177159
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylbenzamide
CID 111780826
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 111110472
1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
CID 111110346
4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide
CID 86939098
2-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466231
2-cyclobutyloxy-N-(3-hydroxybutyl)benzamide
CID 111433576
2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97240651
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide?
The IUPAC name of 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide (CID 86972570) is 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide?
The canonical SMILES for 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide is O=C(NCC1(O)CCCc2ccccc21)c1ccccc1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide?
The InChIKey is UUIDNITYZLZDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(18-11-2-4-13-20(18)26-17-9-5-10-17)23-15-22(25)14-6-8-16-7-1-3-12-19(16)22/h1-4,7,11-13,17,25H,5-6,8-10,14-15H2,(H,23,24).
What are the key properties of 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide?
2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide is sourced from PubChem (CID 86972570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).