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

C30H35N3O3 — CID 16737826

IUPAC3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C30H35N3O3/c1-24(34)27-13-8-14-28(23-27)31-30(35)33(18-17-32-19-21-36-22-20-32)16-15-29(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-14,23,29H,15-22H2,1H3,(H,31,35)
InChIKeyCZJVPPRBHOKDQH-UHFFFAOYSA-N
MW485.63 g/mol
LogP5.28
Rot. Bonds10

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

3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16737826) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID16737826
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
InChIInChI=1S/C30H35N3O3/c1-24(34)27-13-8-14-28(23-27)31-30(35)33(18-17-32-19-21-36-22-20-32)16-15-29(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-14,23,29H,15-22H2,1H3,(H,31,35)
InChIKeyCZJVPPRBHOKDQH-UHFFFAOYSA-N
XLogP5.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea (CID 16737826) is 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea is CC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is CZJVPPRBHOKDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-24(34)27-13-8-14-28(23-27)31-30(35)33(18-17-32-19-21-36-22-20-32)16-15-29(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-14,23,29H,15-22H2,1H3,(H,31,35).
What are the key properties of 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea?
3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 485.63 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16737826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).