4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide

C21H25NO3 — CID 119063800

IUPAC4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccc(-c3ccccc3CO)cc2)CCC1
InChIInChI=1S/C21H25NO3/c1-25-15-21(11-4-12-21)14-22-20(24)17-9-7-16(8-10-17)19-6-3-2-5-18(19)13-23/h2-3,5-10,23H,4,11-15H2,1H3,(H,22,24)
InChIKeyIIUGSWWGHIPDLU-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.39
Rot. Bonds7

About 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide

4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide (PubChem CID 119063800) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide
PubChem CID119063800
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccc(-c3ccccc3CO)cc2)CCC1
InChIInChI=1S/C21H25NO3/c1-25-15-21(11-4-12-21)14-22-20(24)17-9-7-16(8-10-17)19-6-3-2-5-18(19)13-23/h2-3,5-10,23H,4,11-15H2,1H3,(H,22,24)
InChIKeyIIUGSWWGHIPDLU-UHFFFAOYSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
2-(2-chlorophenyl)-2-hydroxy-N-[[1-(methoxymethyl)cyclopentyl]methyl]acetamide
CID 91765732
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide
CID 171134458
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
methyl 2-[4-[(3-hydroxypiperidin-3-yl)methylcarbamoyl]phenyl]benzoate
CID 119067850
N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide
CID 119061076
2-(ethylamino)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 72843561
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135120437

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide?
The IUPAC name of 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide (CID 119063800) is 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide?
The canonical SMILES for 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide is COCC1(CNC(=O)c2ccc(-c3ccccc3CO)cc2)CCC1.
What is the InChIKey of 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide?
The InChIKey is IIUGSWWGHIPDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-25-15-21(11-4-12-21)14-22-20(24)17-9-7-16(8-10-17)19-6-3-2-5-18(19)13-23/h2-3,5-10,23H,4,11-15H2,1H3,(H,22,24).
What are the key properties of 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide?
4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)phenyl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]benzamide is sourced from PubChem (CID 119063800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).