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

C18H22N2O3 — CID 35646115

IUPAC1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCOc1cccc(OCCNC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C18H22N2O3/c1-14-6-3-4-7-15(14)13-20-18(21)19-10-11-23-17-9-5-8-16(12-17)22-2/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeySBEUTPZPEAUNMA-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.88
Rot. Bonds7

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

1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 35646115) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID35646115
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCOc1cccc(OCCNC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C18H22N2O3/c1-14-6-3-4-7-15(14)13-20-18(21)19-10-11-23-17-9-5-8-16(12-17)22-2/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeySBEUTPZPEAUNMA-UHFFFAOYSA-N
XLogP2.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112971837
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
1-[(2-methylphenyl)methyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974267
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46449236
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea (CID 35646115) is 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea is COc1cccc(OCCNC(=O)NCc2ccccc2C)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is SBEUTPZPEAUNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-6-3-4-7-15(14)13-20-18(21)19-10-11-23-17-9-5-8-16(12-17)22-2/h3-9,12H,10-11,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea?
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 35646115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).