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

C20H25N3O3 — CID 108879170

IUPAC1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCc1ccc(OCNC(=O)Nc2ccccc2N2CCOCC2)cc1C
InChIInChI=1S/C20H25N3O3/c1-15-7-8-17(13-16(15)2)26-14-21-20(24)22-18-5-3-4-6-19(18)23-9-11-25-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H2,21,22,24)
InChIKeyISPYNIJHNMROMS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.30
Rot. Bonds5

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

1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 108879170) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
PubChem CID108879170
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCc1ccc(OCNC(=O)Nc2ccccc2N2CCOCC2)cc1C
InChIInChI=1S/C20H25N3O3/c1-15-7-8-17(13-16(15)2)26-14-21-20(24)22-18-5-3-4-6-19(18)23-9-11-25-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H2,21,22,24)
InChIKeyISPYNIJHNMROMS-UHFFFAOYSA-N
XLogP3.30
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
CID 108879176
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112975393
N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide
CID 108879035
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-(2-cyclohexylethyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108888594

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea (CID 108879170) is 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea is Cc1ccc(OCNC(=O)Nc2ccccc2N2CCOCC2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is ISPYNIJHNMROMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-7-8-17(13-16(15)2)26-14-21-20(24)22-18-5-3-4-6-19(18)23-9-11-25-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea?
1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 355.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 108879170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).