1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea

C18H22N2O3 — CID 108878546

IUPAC1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCOc2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O3/c1-13-6-4-9-17(14(13)2)23-12-20-18(21)19-11-15-7-5-8-16(10-15)22-3/h4-10H,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyIJEFQLOHKNBKTB-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.15
Rot. Bonds6

About 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea

1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 108878546) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID108878546
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCOc2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O3/c1-13-6-4-9-17(14(13)2)23-12-20-18(21)19-11-15-7-5-8-16(10-15)22-3/h4-10H,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyIJEFQLOHKNBKTB-UHFFFAOYSA-N
XLogP3.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
1-[(2,3-dimethylphenoxy)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108878547
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 48630580
1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884018

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea (CID 108878546) is 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NCOc2cccc(C)c2C)c1.
What is the InChIKey of 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is IJEFQLOHKNBKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-6-4-9-17(14(13)2)23-12-20-18(21)19-11-15-7-5-8-16(10-15)22-3/h4-10H,11-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylphenoxy)methyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108878546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).