1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea

C21H27N3O3 — CID 112973391

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCc1cccc(C)c1OCCNC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O3/c1-16-6-5-7-17(2)20(16)27-13-10-22-21(25)23-18-8-3-4-9-19(18)24-11-14-26-15-12-24/h3-9H,10-15H2,1-2H3,(H2,22,23,25)
InChIKeyUELQTQMTFXNFTH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea

1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 112973391) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
PubChem CID112973391
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCc1cccc(C)c1OCCNC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O3/c1-16-6-5-7-17(2)20(16)27-13-10-22-21(25)23-18-8-3-4-9-19(18)24-11-14-26-15-12-24/h3-9H,10-15H2,1-2H3,(H2,22,23,25)
InChIKeyUELQTQMTFXNFTH-UHFFFAOYSA-N
XLogP3.34
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.34
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-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112975393
1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108879170
1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108882483
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
CID 112973367
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
1-(2-cyclohexylethyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108888594
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108506578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea (CID 112973391) is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea is Cc1cccc(C)c1OCCNC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is UELQTQMTFXNFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-6-5-7-17(2)20(16)27-13-10-22-21(25)23-18-8-3-4-9-19(18)24-11-14-26-15-12-24/h3-9H,10-15H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 369.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 112973391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).