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

C12H18N2O2 — CID 115169183

IUPAC1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-5-10(7-14-12(15)13-3)6-9(2)11(8)16-4/h5-6H,7H2,1-4H3,(H2,13,14,15)
InChIKeyVQIMPAGCFNFXLY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.74
Rot. Bonds3

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

1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea (PubChem CID 115169183) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
PubChem CID115169183
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-5-10(7-14-12(15)13-3)6-9(2)11(8)16-4/h5-6H,7H2,1-4H3,(H2,13,14,15)
InChIKeyVQIMPAGCFNFXLY-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094
1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181609
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
CID 115169191
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
CID 131998616
2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
CID 110834543
1-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242966
3-amino-4-[(4-methoxy-3,5-dimethylphenyl)methylamino]butanoic acid
CID 115241716
(2S)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 94817203
5-[(4-methoxy-3,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219065
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea?
The IUPAC name of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea (CID 115169183) is 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea is CNC(=O)NCc1cc(C)c(OC)c(C)c1.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea?
The InChIKey is VQIMPAGCFNFXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-10(7-14-12(15)13-3)6-9(2)11(8)16-4/h5-6H,7H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea?
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea has a molecular weight of 222.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea is sourced from PubChem (CID 115169183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).