1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea

C21H27N3O3 — CID 112971778

IUPAC1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O3/c1-2-17-7-3-6-10-20(17)27-14-11-22-21(25)23-18-8-4-5-9-19(18)24-12-15-26-16-13-24/h3-10H,2,11-16H2,1H3,(H2,22,23,25)
InChIKeyYWVSOPUUYGUXMZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.29
Rot. Bonds7

About 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea

1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 112971778) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
PubChem CID112971778
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O3/c1-2-17-7-3-6-10-20(17)27-14-11-22-21(25)23-18-8-4-5-9-19(18)24-12-15-26-16-13-24/h3-10H,2,11-16H2,1H3,(H2,22,23,25)
InChIKeyYWVSOPUUYGUXMZ-UHFFFAOYSA-N
XLogP3.29
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.29
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-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112973391
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-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108882483
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 55695449
1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108879170
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108506578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea (CID 112971778) is 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea is CCc1ccccc1OCCNC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is YWVSOPUUYGUXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-17-7-3-6-10-20(17)27-14-11-22-21(25)23-18-8-4-5-9-19(18)24-12-15-26-16-13-24/h3-10H,2,11-16H2,1H3,(H2,22,23,25).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 369.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 112971778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).