1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea

C13H19N3O3 — CID 972139

IUPAC1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
SMILESCOc1ccc(C)cc1NC(=O)NN1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-10-3-4-12(18-2)11(9-10)14-13(17)15-16-5-7-19-8-6-16/h3-4,9H,5-8H2,1-2H3,(H2,14,15,17)
InChIKeyRXJVWEMRMRKFKZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.37
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea

1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea (PubChem CID 972139) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
PubChem CID972139
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
SMILESCOc1ccc(C)cc1NC(=O)NN1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-10-3-4-12(18-2)11(9-10)14-13(17)15-16-5-7-19-8-6-16/h3-4,9H,5-8H2,1-2H3,(H2,14,15,17)
InChIKeyRXJVWEMRMRKFKZ-UHFFFAOYSA-N
XLogP1.37
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
CID 7470131
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40789747
1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909499
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
(Z)-3-(2-methoxy-5-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843662

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea (CID 972139) is 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea is COc1ccc(C)cc1NC(=O)NN1CCOCC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea?
The InChIKey is RXJVWEMRMRKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-3-4-12(18-2)11(9-10)14-13(17)15-16-5-7-19-8-6-16/h3-4,9H,5-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea?
1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea has a molecular weight of 265.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea is sourced from PubChem (CID 972139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).