1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea

C17H20N2O3 — CID 112969846

IUPAC1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCOc1ccccc1NC(=O)NCCOc1ccccc1C
InChIInChI=1S/C17H20N2O3/c1-13-7-3-5-9-15(13)22-12-11-18-17(20)19-14-8-4-6-10-16(14)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyXQZIFURJISPLKF-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.20
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea

1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 112969846) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID112969846
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCOc1ccccc1NC(=O)NCCOc1ccccc1C
InChIInChI=1S/C17H20N2O3/c1-13-7-3-5-9-15(13)22-12-11-18-17(20)19-14-8-4-6-10-16(14)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyXQZIFURJISPLKF-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.20
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-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-(2-methoxyethyl)-3-[2-(2-methylphenoxy)phenyl]urea
CID 110426455
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
CID 112973367
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea (CID 112969846) is 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea is COc1ccccc1NC(=O)NCCOc1ccccc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is XQZIFURJISPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-7-3-5-9-15(13)22-12-11-18-17(20)19-14-8-4-6-10-16(14)21-2/h3-10H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea?
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).