1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea

C18H21N3O3 — CID 108869153

IUPAC1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C18H21N3O3/c1-23-15-6-4-5-14(13-15)19-18(22)20-16-7-2-3-8-17(16)21-9-11-24-12-10-21/h2-8,13H,9-12H2,1H3,(H2,19,20,22)
InChIKeyIOOHUYCLJDMYQR-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea

1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 108869153) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
PubChem CID108869153
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C18H21N3O3/c1-23-15-6-4-5-14(13-15)19-18(22)20-16-7-2-3-8-17(16)21-9-11-24-12-10-21/h2-8,13H,9-12H2,1H3,(H2,19,20,22)
InChIKeyIOOHUYCLJDMYQR-UHFFFAOYSA-N
XLogP3.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056
N-(3-methoxyphenyl)-2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 4965762
3-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109039568
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]aniline;1-[2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 158363654
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
1-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylurea
CID 4185237
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110316961
2-chloro-N-[3-[(3-methoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 46326591
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea (CID 108869153) is 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea is COc1cccc(NC(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is IOOHUYCLJDMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-6-4-5-14(13-15)19-18(22)20-16-7-2-3-8-17(16)21-9-11-24-12-10-21/h2-8,13H,9-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea?
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 327.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 108869153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).