N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide

C13H19NO2 — CID 138647840

IUPACN-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
SMILESCNC(=O)c1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)16-9-10-5-7-11(8-6-10)12(15)14-4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyCSOSTRHSMGPYPM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.36
Rot. Bonds3

About N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide

N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide (PubChem CID 138647840) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
PubChem CID138647840
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
SMILESCNC(=O)c1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)16-9-10-5-7-11(8-6-10)12(15)14-4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyCSOSTRHSMGPYPM-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
CID 54888825
(4-tert-butylphenyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123291
N-methyl-4-phenylmethoxybenzamide
CID 2996745
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
4-[(4-acetamidoanilino)methoxymethyl]-N-methylbenzamide;molecular hydrogen
CID 144818544
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
[4-(methylcarbamoyl)phenyl]methanesulfinic acid
CID 165455405

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide?
The IUPAC name of N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide (CID 138647840) is N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide?
The canonical SMILES for N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide is CNC(=O)c1ccc(COC(C)(C)C)cc1.
What is the InChIKey of N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide?
The InChIKey is CSOSTRHSMGPYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)16-9-10-5-7-11(8-6-10)12(15)14-4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide?
N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide is sourced from PubChem (CID 138647840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).