1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea

C18H19N3O3 — CID 839616

IUPAC1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O3/c22-17(21-10-12-24-13-11-21)14-6-8-16(9-7-14)20-18(23)19-15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,19,20,23)
InChIKeyAJFZQQYWAWELBA-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.80
Rot. Bonds3

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

1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea (PubChem CID 839616) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea
PubChem CID839616
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H19N3O3/c22-17(21-10-12-24-13-11-21)14-6-8-16(9-7-14)20-18(23)19-15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,19,20,23)
InChIKeyAJFZQQYWAWELBA-UHFFFAOYSA-N
XLogP2.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea (CID 839616) is 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea?
The InChIKey is AJFZQQYWAWELBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(21-10-12-24-13-11-21)14-6-8-16(9-7-14)20-18(23)19-15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,19,20,23).
What are the key properties of 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea?
1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea has a molecular weight of 325.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholine-4-carbonyl)phenyl]-3-phenylurea is sourced from PubChem (CID 839616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).