1-(methoxymethyl)-3-(4-methylphenyl)urea

C10H14N2O2 — CID 110675978

IUPAC1-(methoxymethyl)-3-(4-methylphenyl)urea
SMILESCOCNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C10H14N2O2/c1-8-3-5-9(6-4-8)12-10(13)11-7-14-2/h3-6H,7H2,1-2H3,(H2,11,12,13)
InChIKeyBLXSJQINMOKOAK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.72
Rot. Bonds3

About 1-(methoxymethyl)-3-(4-methylphenyl)urea

1-(methoxymethyl)-3-(4-methylphenyl)urea (PubChem CID 110675978) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(methoxymethyl)-3-(4-methylphenyl)urea
PubChem CID110675978
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(methoxymethyl)-3-(4-methylphenyl)urea
SMILESCOCNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C10H14N2O2/c1-8-3-5-9(6-4-8)12-10(13)11-7-14-2/h3-6H,7H2,1-2H3,(H2,11,12,13)
InChIKeyBLXSJQINMOKOAK-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
1-(methoxymethyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 108893640
1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
CID 110675983
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240
[(4-methylphenyl)carbamoylamino]methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 90724962
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
[(4-methylphenyl)carbamoylamino]methylphosphonic acid
CID 159634843
1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
CID 115640170
1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894361

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(methoxymethyl)-3-(4-methylphenyl)urea (CID 110675978) is 1-(methoxymethyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(methoxymethyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(methoxymethyl)-3-(4-methylphenyl)urea is COCNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(methoxymethyl)-3-(4-methylphenyl)urea?
The InChIKey is BLXSJQINMOKOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-3-5-9(6-4-8)12-10(13)11-7-14-2/h3-6H,7H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(methoxymethyl)-3-(4-methylphenyl)urea?
1-(methoxymethyl)-3-(4-methylphenyl)urea has a molecular weight of 194.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 110675978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).