1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea

C10H14N2O3 — CID 134104762

IUPAC1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
SMILESCNC(=O)N(O)Cc1cccc(OC)c1
InChIInChI=1S/C10H14N2O3/c1-11-10(13)12(14)7-8-4-3-5-9(6-8)15-2/h3-6,14H,7H2,1-2H3,(H,11,13)
InChIKeyPWLWQFHJCGNRHW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.23
Rot. Bonds3

About 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea

1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea (PubChem CID 134104762) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
PubChem CID134104762
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
SMILESCNC(=O)N(O)Cc1cccc(OC)c1
InChIInChI=1S/C10H14N2O3/c1-11-10(13)12(14)7-8-4-3-5-9(6-8)15-2/h3-6,14H,7H2,1-2H3,(H,11,13)
InChIKeyPWLWQFHJCGNRHW-UHFFFAOYSA-N
XLogP1.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methoxyphenyl)methyl]-1,3-dimethylthiourea
CID 7944505
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
CID 90758333
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
(2R)-2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009414
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea?
The IUPAC name of 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea (CID 134104762) is 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea.
What is the SMILES notation for 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea?
The canonical SMILES for 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea is CNC(=O)N(O)Cc1cccc(OC)c1.
What is the InChIKey of 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea?
The InChIKey is PWLWQFHJCGNRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-11-10(13)12(14)7-8-4-3-5-9(6-8)15-2/h3-6,14H,7H2,1-2H3,(H,11,13).
What are the key properties of 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea?
1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea has a molecular weight of 210.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea is sourced from PubChem (CID 134104762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).