1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea

C33H36N4O2 — CID 72725152

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea
SMILESO=C(Nc1cccc(-c2ccccc2)n1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C33H36N4O2/c38-33(35-32-18-10-17-31(34-32)29-15-8-3-9-16-29)37(22-21-36-23-25-39-26-24-36)20-19-30(27-11-4-1-5-12-27)28-13-6-2-7-14-28/h1-18,30H,19-26H2,(H,34,35,38)
InChIKeyKFSQJTNIVZWMKN-UHFFFAOYSA-N
MW520.68 g/mol
LogP6.14
Rot. Bonds10

About 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea (PubChem CID 72725152) 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-(6-phenyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea
PubChem CID72725152
Molecular FormulaC33H36N4O2
Molecular Weight520.68 g/mol
Exact Mass520.28
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea
SMILESO=C(Nc1cccc(-c2ccccc2)n1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C33H36N4O2/c38-33(35-32-18-10-17-31(34-32)29-15-8-3-9-16-29)37(22-21-36-23-25-39-26-24-36)20-19-30(27-11-4-1-5-12-27)28-13-6-2-7-14-28/h1-18,30H,19-26H2,(H,34,35,38)
InChIKeyKFSQJTNIVZWMKN-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-(6-phenyl-2-pyridinyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea (CID 72725152) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea is O=C(Nc1cccc(-c2ccccc2)n1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea?
The InChIKey is KFSQJTNIVZWMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2/c38-33(35-32-18-10-17-31(34-32)29-15-8-3-9-16-29)37(22-21-36-23-25-39-26-24-36)20-19-30(27-11-4-1-5-12-27)28-13-6-2-7-14-28/h1-18,30H,19-26H2,(H,34,35,38).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)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-(6-phenyl-2-pyridinyl)urea is sourced from PubChem (CID 72725152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).