1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea

C20H25N3O3 — CID 90894366

IUPAC1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1OCCN1CCOCC1
InChIInChI=1S/C20H25N3O3/c1-16-7-8-18(22-20(24)21-17-5-3-2-4-6-17)15-19(16)26-14-11-23-9-12-25-13-10-23/h2-8,15H,9-14H2,1H3,(H2,21,22,24)
InChIKeyHVVZPDLIRJUDQB-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea

1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea (PubChem CID 90894366) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
PubChem CID90894366
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1OCCN1CCOCC1
InChIInChI=1S/C20H25N3O3/c1-16-7-8-18(22-20(24)21-17-5-3-2-4-6-17)15-19(16)26-14-11-23-9-12-25-13-10-23/h2-8,15H,9-14H2,1H3,(H2,21,22,24)
InChIKeyHVVZPDLIRJUDQB-UHFFFAOYSA-N
XLogP3.35
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[2-[2-methyl-5-(phenylcarbamoylamino)phenoxy]ethyl]piperazine-1-carboxylate
CID 91126871
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-methyl-3-(2-piperazin-1-ylethoxy)phenyl]urea
CID 57403402
N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-morpholin-4-ylethoxy)benzamide
CID 134195679
1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25015205
1-(3-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11711913
1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
CID 166265933
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea (CID 90894366) is 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea is Cc1ccc(NC(=O)Nc2ccccc2)cc1OCCN1CCOCC1.
What is the InChIKey of 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea?
The InChIKey is HVVZPDLIRJUDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-16-7-8-18(22-20(24)21-17-5-3-2-4-6-17)15-19(16)26-14-11-23-9-12-25-13-10-23/h2-8,15H,9-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea?
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea has a molecular weight of 355.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea is sourced from PubChem (CID 90894366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).