1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea

C31H37N3O3 — CID 16737168

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea
SMILESCCC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C31H37N3O3/c1-2-30(35)27-14-9-15-28(24-27)32-31(36)34(19-18-33-20-22-37-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,2,16-23H2,1H3,(H,32,36)
InChIKeyDYUVMPXQXHHVKL-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.67
Rot. Bonds11

About 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea (PubChem CID 16737168) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea
PubChem CID16737168
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea
SMILESCCC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C31H37N3O3/c1-2-30(35)27-14-9-15-28(24-27)32-31(36)34(19-18-33-20-22-37-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,2,16-23H2,1H3,(H,32,36)
InChIKeyDYUVMPXQXHHVKL-UHFFFAOYSA-N
XLogP5.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea (CID 16737168) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea is CCC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea?
The InChIKey is DYUVMPXQXHHVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c1-2-30(35)27-14-9-15-28(24-27)32-31(36)34(19-18-33-20-22-37-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,2,16-23H2,1H3,(H,32,36).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea has a molecular weight of 499.66 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-propanoylphenyl)urea is sourced from PubChem (CID 16737168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).