methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate

C13H19NO3 — CID 115190641

IUPACmethyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C13H19NO3/c1-9-6-10(2)12(16-4)11(7-9)8-14(3)13(15)17-5/h6-7H,8H2,1-5H3
InChIKeyDECAWXJAXZRINB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.51
Rot. Bonds3

About methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate

methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate (PubChem CID 115190641) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
PubChem CID115190641
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C13H19NO3/c1-9-6-10(2)12(16-4)11(7-9)8-14(3)13(15)17-5/h6-7H,8H2,1-5H3
InChIKeyDECAWXJAXZRINB-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967
3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
CID 115152925
4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
CID 115155361
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115259441
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one
CID 115235166
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
CID 115169247
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate (CID 115190641) is methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate is COC(=O)N(C)Cc1cc(C)cc(C)c1OC.
What is the InChIKey of methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate?
The InChIKey is DECAWXJAXZRINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-10(2)12(16-4)11(7-9)8-14(3)13(15)17-5/h6-7H,8H2,1-5H3.
What are the key properties of methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate?
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 115190641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).