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

C20H21N3O4 — CID 1294784

IUPAC1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H21N3O4/c1-14(24)16-3-2-4-18(13-16)22-20(26)21-17-7-5-15(6-8-17)19(25)23-9-11-27-12-10-23/h2-8,13H,9-12H2,1H3,(H2,21,22,26)
InChIKeyFPFHIROXJYRZAW-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.01
Rot. Bonds4

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

1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 1294784) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
PubChem CID1294784
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H21N3O4/c1-14(24)16-3-2-4-18(13-16)22-20(26)21-17-7-5-15(6-8-17)19(25)23-9-11-27-12-10-23/h2-8,13H,9-12H2,1H3,(H2,21,22,26)
InChIKeyFPFHIROXJYRZAW-UHFFFAOYSA-N
XLogP3.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea (CID 1294784) is 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea is CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is FPFHIROXJYRZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(24)16-3-2-4-18(13-16)22-20(26)21-17-7-5-15(6-8-17)19(25)23-9-11-27-12-10-23/h2-8,13H,9-12H2,1H3,(H2,21,22,26).
What are the key properties of 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea?
1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 367.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 1294784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).