1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea

C19H21N3O4 — CID 1288686

IUPAC1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H21N3O4/c1-25-17-8-6-16(7-9-17)21-19(24)20-15-4-2-14(3-5-15)18(23)22-10-12-26-13-11-22/h2-9H,10-13H2,1H3,(H2,20,21,24)
InChIKeyOXWMYMHSHNAGDP-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea

1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 1288686) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
PubChem CID1288686
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H21N3O4/c1-25-17-8-6-16(7-9-17)21-19(24)20-15-4-2-14(3-5-15)18(23)22-10-12-26-13-11-22/h2-9H,10-13H2,1H3,(H2,20,21,24)
InChIKeyOXWMYMHSHNAGDP-UHFFFAOYSA-N
XLogP2.81
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea (CID 1288686) is 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea is COc1ccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is OXWMYMHSHNAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-25-17-8-6-16(7-9-17)21-19(24)20-15-4-2-14(3-5-15)18(23)22-10-12-26-13-11-22/h2-9H,10-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 355.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 1288686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).