1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea

C16H18N2O2 — CID 108888843

IUPAC1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
SMILESCc1cccc(NC(=O)NCOc2ccccc2)c1C
InChIInChI=1S/C16H18N2O2/c1-12-7-6-10-15(13(12)2)18-16(19)17-11-20-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyWRAYDINNRZBNIE-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.46
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea

1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea (PubChem CID 108888843) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
PubChem CID108888843
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
SMILESCc1cccc(NC(=O)NCOc2ccccc2)c1C
InChIInChI=1S/C16H18N2O2/c1-12-7-6-10-15(13(12)2)18-16(19)17-11-20-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyWRAYDINNRZBNIE-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.46
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-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745
1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
CID 108878458
1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
CID 108888756
1-(2-hydroxyphenyl)-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880185
1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
CID 108888749
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
CID 71865833
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
1-[(2,3-dimethylphenoxy)methyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108878287

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea (CID 108888843) is 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea is Cc1cccc(NC(=O)NCOc2ccccc2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea?
The InChIKey is WRAYDINNRZBNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-7-6-10-15(13(12)2)18-16(19)17-11-20-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea?
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea has a molecular weight of 270.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).