N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide

C15H21NO3 — CID 115185386

IUPACN-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(CO)COC2)c(C)c1
InChIInChI=1S/C15H21NO3/c1-11-4-5-13(12(2)6-11)7-16(3)14(18)15(8-17)9-19-10-15/h4-6,17H,7-10H2,1-3H3
InChIKeyJRISFDKICLJTTK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.27
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide

N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide (PubChem CID 115185386) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
PubChem CID115185386
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(CO)COC2)c(C)c1
InChIInChI=1S/C15H21NO3/c1-11-4-5-13(12(2)6-11)7-16(3)14(18)15(8-17)9-19-10-15/h4-6,17H,7-10H2,1-3H3
InChIKeyJRISFDKICLJTTK-UHFFFAOYSA-N
XLogP1.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185700
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide
CID 115439217
3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
CID 115185388
N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185381
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
cis-(1S,2R)-2-[(2,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091785
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
CID 115185456
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588
2,2,2-trifluoroethyl N-[(2,4-dimethylphenyl)methyl]-N-methylcarbamate
CID 65168937
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115249494

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide (CID 115185386) is N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide is Cc1ccc(CN(C)C(=O)C2(CO)COC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The InChIKey is JRISFDKICLJTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-5-13(12(2)6-11)7-16(3)14(18)15(8-17)9-19-10-15/h4-6,17H,7-10H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115185386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).