1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea

C18H22N2O4 — CID 112975367

IUPAC1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCCOc2ccc(C)cc2OC)c1
InChIInChI=1S/C18H22N2O4/c1-13-7-8-16(17(11-13)23-3)24-10-9-19-18(21)20-14-5-4-6-15(12-14)22-2/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,21)
InChIKeyWSNQEVXJNOMYQM-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.21
Rot. Bonds7

About 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea

1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea (PubChem CID 112975367) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
PubChem CID112975367
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCCOc2ccc(C)cc2OC)c1
InChIInChI=1S/C18H22N2O4/c1-13-7-8-16(17(11-13)23-3)24-10-9-19-18(21)20-14-5-4-6-15(12-14)22-2/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,21)
InChIKeyWSNQEVXJNOMYQM-UHFFFAOYSA-N
XLogP3.21
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975399
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
1-(3-chloro-4-fluorophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975360
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 38155146
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea (CID 112975367) is 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCCOc2ccc(C)cc2OC)c1.
What is the InChIKey of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea?
The InChIKey is WSNQEVXJNOMYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-7-8-16(17(11-13)23-3)24-10-9-19-18(21)20-14-5-4-6-15(12-14)22-2/h4-8,11-12H,9-10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea?
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea has a molecular weight of 330.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 112975367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).