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

C33H36N4O2 — CID 16735043

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea
SMILESO=C(Nc1cccc(-c2cccnc2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C33H36N4O2/c38-33(35-31-15-7-13-29(25-31)30-14-8-17-34-26-30)37(20-19-36-21-23-39-24-22-36)18-16-32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-15,17,25-26,32H,16,18-24H2,(H,35,38)
InChIKeyLKLSIUSCBYEVGV-UHFFFAOYSA-N
MW520.68 g/mol
LogP6.14
Rot. Bonds10

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

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea (PubChem CID 16735043) has the molecular formula C33H36N4O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea
PubChem CID16735043
Molecular FormulaC33H36N4O2
Molecular Weight520.68 g/mol
Exact Mass520.28
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea
SMILESO=C(Nc1cccc(-c2cccnc2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C33H36N4O2/c38-33(35-31-15-7-13-29(25-31)30-14-8-17-34-26-30)37(20-19-36-21-23-39-24-22-36)18-16-32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-15,17,25-26,32H,16,18-24H2,(H,35,38)
InChIKeyLKLSIUSCBYEVGV-UHFFFAOYSA-N
XLogP6.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 56.14
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-pyridin-3-ylphenyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea (CID 16735043) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea is O=C(Nc1cccc(-c2cccnc2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea?
The InChIKey is LKLSIUSCBYEVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2/c38-33(35-31-15-7-13-29(25-31)30-14-8-17-34-26-30)37(20-19-36-21-23-39-24-22-36)18-16-32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-15,17,25-26,32H,16,18-24H2,(H,35,38).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-pyridin-3-ylphenyl)urea has a molecular weight of 520.68 g/mol, XLogP of 6.14, 10 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-pyridin-3-ylphenyl)urea is sourced from PubChem (CID 16735043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).