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

C20H26N2O5 — CID 112973925

IUPAC1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCOc2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C20H26N2O5/c1-13-7-6-8-16(14(13)2)27-10-9-21-20(23)22-15-11-17(24-3)19(26-5)18(12-15)25-4/h6-8,11-12H,9-10H2,1-5H3,(H2,21,22,23)
InChIKeyRKDDHWLXGKXTBY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.53
Rot. Bonds8

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

1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 112973925) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID112973925
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCOc2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C20H26N2O5/c1-13-7-6-8-16(14(13)2)27-10-9-21-20(23)22-15-11-17(24-3)19(26-5)18(12-15)25-4/h6-8,11-12H,9-10H2,1-5H3,(H2,21,22,23)
InChIKeyRKDDHWLXGKXTBY-UHFFFAOYSA-N
XLogP3.53
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.53
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-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 38155146
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976610
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976270
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112975528
1-[2-(3-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866790
1-[2-(2,3-dimethylphenoxy)ethyl]-3-pentylurea
CID 112973846
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975574

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 112973925) is 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCCOc2cccc(C)c2C)cc(OC)c1OC.
What is the InChIKey of 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is RKDDHWLXGKXTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13-7-6-8-16(14(13)2)27-10-9-21-20(23)22-15-11-17(24-3)19(26-5)18(12-15)25-4/h6-8,11-12H,9-10H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 374.44 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 112973925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).