N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide

C13H17NO3 — CID 122559939

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(CO)c2)COC1
InChIInChI=1S/C13H17NO3/c1-13(8-17-9-13)12(16)14-6-10-3-2-4-11(5-10)7-15/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyLNWLJJOXWFOSMH-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.83
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide (PubChem CID 122559939) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
PubChem CID122559939
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(CO)c2)COC1
InChIInChI=1S/C13H17NO3/c1-13(8-17-9-13)12(16)14-6-10-3-2-4-11(5-10)7-15/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyLNWLJJOXWFOSMH-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 154739738
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-4-carboxamide
CID 63122588
N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
N-[[3-(hydroxymethyl)phenyl]methyl]but-2-ynamide
CID 106741557
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide (CID 122559939) is N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide is CC1(C(=O)NCc2cccc(CO)c2)COC1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide?
The InChIKey is LNWLJJOXWFOSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(8-17-9-13)12(16)14-6-10-3-2-4-11(5-10)7-15/h2-5,15H,6-9H2,1H3,(H,14,16).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 122559939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).