1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea

C18H22N2O3 — CID 21191814

IUPAC1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea
SMILESCNC(=O)N(OC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C18H22N2O3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)20(22-4)18(21)19-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyUUYXJILDTAGGEF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea

1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea (PubChem CID 21191814) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea
PubChem CID21191814
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea
SMILESCNC(=O)N(OC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C18H22N2O3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)20(22-4)18(21)19-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyUUYXJILDTAGGEF-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861
2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
CID 175139513
methyl (Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]but-2-enoate
CID 11758709
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-hydroxybutanoate
CID 10903568
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfinylacetate
CID 18357827
methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate
CID 20667664
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea?
The IUPAC name of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea (CID 21191814) is 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea?
The canonical SMILES for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea is CNC(=O)N(OC)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea?
The InChIKey is UUYXJILDTAGGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)20(22-4)18(21)19-3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea?
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea has a molecular weight of 314.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea is sourced from PubChem (CID 21191814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).