1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea

C17H20N2O4 — CID 108892166

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
SMILESCOc1ccc(C)cc1NC(=O)NCOc1ccccc1OC
InChIInChI=1S/C17H20N2O4/c1-12-8-9-14(21-2)13(10-12)19-17(20)18-11-23-16-7-5-4-6-15(16)22-3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyXRZFJWAPIAAOCB-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.17
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea

1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea (PubChem CID 108892166) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
PubChem CID108892166
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
SMILESCOc1ccc(C)cc1NC(=O)NCOc1ccccc1OC
InChIInChI=1S/C17H20N2O4/c1-12-8-9-14(21-2)13(10-12)19-17(20)18-11-23-16-7-5-4-6-15(16)22-3/h4-10H,11H2,1-3H3,(H2,18,19,20)
InChIKeyXRZFJWAPIAAOCB-UHFFFAOYSA-N
XLogP3.17
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892354
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
1-[(2-ethoxyphenoxy)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108877389
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745
N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 112971232

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea (CID 108892166) is 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea is COc1ccc(C)cc1NC(=O)NCOc1ccccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The InChIKey is XRZFJWAPIAAOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-8-9-14(21-2)13(10-12)19-17(20)18-11-23-16-7-5-4-6-15(16)22-3/h4-10H,11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea has a molecular weight of 316.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea is sourced from PubChem (CID 108892166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).