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

C13H20N2O3 — CID 115169191

IUPAC1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C13H20N2O3/c1-8-9(2)12(18-5)10(6-11(8)17-4)7-15-13(16)14-3/h6H,7H2,1-5H3,(H2,14,15,16)
InChIKeyFWBYFVDESMADDI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.75
Rot. Bonds4

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

1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea (PubChem CID 115169191) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
PubChem CID115169191
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C13H20N2O3/c1-8-9(2)12(18-5)10(6-11(8)17-4)7-15-13(16)14-3/h6H,7H2,1-5H3,(H2,14,15,16)
InChIKeyFWBYFVDESMADDI-UHFFFAOYSA-N
XLogP1.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
1-amino-3-[(4,5-dimethoxy-2-methylphenyl)methyl]urea
CID 115192661
2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
CID 115218097
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
CID 116848706
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-methylacetamide
CID 116850472
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
CID 116928719
(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
CID 116954760

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea?
The IUPAC name of 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea (CID 115169191) is 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea?
The canonical SMILES for 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea is CNC(=O)NCc1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea?
The InChIKey is FWBYFVDESMADDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-9(2)12(18-5)10(6-11(8)17-4)7-15-13(16)14-3/h6H,7H2,1-5H3,(H2,14,15,16).
What are the key properties of 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea?
1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea has a molecular weight of 252.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea is sourced from PubChem (CID 115169191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).