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

C21H27N3O4 — CID 112975393

IUPAC1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCOc1cc(C)ccc1OCCNC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O4/c1-16-7-8-19(20(15-16)26-2)28-12-9-22-21(25)23-17-5-3-4-6-18(17)24-10-13-27-14-11-24/h3-8,15H,9-14H2,1-2H3,(H2,22,23,25)
InChIKeyKWCBVXWBEKDVJH-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.04
Rot. Bonds7

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

1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 112975393) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
PubChem CID112975393
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCOc1cc(C)ccc1OCCNC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O4/c1-16-7-8-19(20(15-16)26-2)28-12-9-22-21(25)23-17-5-3-4-6-18(17)24-10-13-27-14-11-24/h3-8,15H,9-14H2,1-2H3,(H2,22,23,25)
InChIKeyKWCBVXWBEKDVJH-UHFFFAOYSA-N
XLogP3.04
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.04
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-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108882483
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112973391
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 55695449
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108879170
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 109022218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea (CID 112975393) is 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea is COc1cc(C)ccc1OCCNC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is KWCBVXWBEKDVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-16-7-8-19(20(15-16)26-2)28-12-9-22-21(25)23-17-5-3-4-6-18(17)24-10-13-27-14-11-24/h3-8,15H,9-14H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea?
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 385.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 112975393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).