1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

C19H24N2O5 — CID 38155146

IUPAC1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCOc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-13-6-5-7-15(10-13)26-9-8-20-19(22)21-14-11-16(23-2)18(25-4)17(12-14)24-3/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22)
InChIKeyRSALKMFBWSIJFR-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.22
Rot. Bonds8

About 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea

1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 38155146) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID38155146
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCOc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-13-6-5-7-15(10-13)26-9-8-20-19(22)21-14-11-16(23-2)18(25-4)17(12-14)24-3/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22)
InChIKeyRSALKMFBWSIJFR-UHFFFAOYSA-N
XLogP3.22
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112973925
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-[2-(3-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971202
1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217127
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976610
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(3-methoxyphenyl)urea
CID 112975367
1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 112971232
1-[2-(3-tert-butylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 112972777
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976270
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 38155146) is 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCCOc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is RSALKMFBWSIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13-6-5-7-15(10-13)26-9-8-20-19(22)21-14-11-16(23-2)18(25-4)17(12-14)24-3/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 360.41 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 38155146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).