1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea

C14H22N2O3 — CID 115168734

IUPAC1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
SMILESCOc1cc(CCN(C)C(N)=O)c(OC)c(C)c1C
InChIInChI=1S/C14H22N2O3/c1-9-10(2)13(19-5)11(8-12(9)18-4)6-7-16(3)14(15)17/h8H,6-7H2,1-5H3,(H2,15,17)
InChIKeyDIFRNTYVFFWNOW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea

1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea (PubChem CID 115168734) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
PubChem CID115168734
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
SMILESCOc1cc(CCN(C)C(N)=O)c(OC)c(C)c1C
InChIInChI=1S/C14H22N2O3/c1-9-10(2)13(19-5)11(8-12(9)18-4)6-7-16(3)14(15)17/h8H,6-7H2,1-5H3,(H2,15,17)
InChIKeyDIFRNTYVFFWNOW-UHFFFAOYSA-N
XLogP1.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
CID 3052715
N-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115140029
1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168702
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl-methylcyanamide
CID 117043597
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-methylurea
CID 115168360
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
CID 115171275
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
CID 115218097
1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
CID 115168718

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea (CID 115168734) is 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea is COc1cc(CCN(C)C(N)=O)c(OC)c(C)c1C.
What is the InChIKey of 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea?
The InChIKey is DIFRNTYVFFWNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-10(2)13(19-5)11(8-12(9)18-4)6-7-16(3)14(15)17/h8H,6-7H2,1-5H3,(H2,15,17).
What are the key properties of 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea?
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea has a molecular weight of 266.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115168734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).