1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea

C12H18N2O2 — CID 115168389

IUPAC1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
SMILESCOc1c(C)cc(C)cc1CN(C)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-8-5-9(2)11(16-4)10(6-8)7-14(3)12(13)15/h5-6H,7H2,1-4H3,(H2,13,15)
InChIKeyKNFOZNFQOAIMEN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds3

About 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea

1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea (PubChem CID 115168389) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
PubChem CID115168389
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
SMILESCOc1c(C)cc(C)cc1CN(C)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-8-5-9(2)11(16-4)10(6-8)7-14(3)12(13)15/h5-6H,7H2,1-4H3,(H2,13,15)
InChIKeyKNFOZNFQOAIMEN-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
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-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-methylurea
CID 115168360
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
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one
CID 115235166

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea (CID 115168389) is 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea is COc1c(C)cc(C)cc1CN(C)C(N)=O.
What is the InChIKey of 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
The InChIKey is KNFOZNFQOAIMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-9(2)11(16-4)10(6-8)7-14(3)12(13)15/h5-6H,7H2,1-4H3,(H2,13,15).
What are the key properties of 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea?
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea has a molecular weight of 222.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 115168389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).