4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

C20H23NO2 — CID 101031048

IUPAC4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCN(CC1(C)COC1)C(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-20(14-23-15-20)13-21(2)19(22)18-10-8-17(9-11-18)12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChIKeyDESFKNKDFWQLHP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.39
Rot. Bonds5

About 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 101031048) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID101031048
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCN(CC1(C)COC1)C(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-20(14-23-15-20)13-21(2)19(22)18-10-8-17(9-11-18)12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChIKeyDESFKNKDFWQLHP-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 11119991
N-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-methylquinolin-5-yl)benzamide
CID 162637946
N-methyl-N-[2-[(3-methyloxetan-3-yl)methylamino]-2-oxoethyl]benzamide
CID 78956835
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
(3-methyloxetan-3-yl)methyl 4-phenylbutanoate
CID 13123200
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
CID 115185456
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]acetamide
CID 91836143
(3-methyloxetan-3-yl)methyl 2-phenylmethoxyacetate
CID 164728573
N-methyl-N-[(4-methyloxan-4-yl)methyl]furan-3-carboxamide
CID 110875705

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 101031048) is 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is CN(CC1(C)COC1)C(=O)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is DESFKNKDFWQLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(14-23-15-20)13-21(2)19(22)18-10-8-17(9-11-18)12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3.
What are the key properties of 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 101031048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).