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

C27H32N4O2 — CID 16735430

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C27H32N4O2/c32-27(29-25-12-7-14-28-22-25)31(17-16-30-18-20-33-21-19-30)15-13-26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,14,22,26H,13,15-21H2,(H,29,32)
InChIKeyKWQYOYGXHUDXPO-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.47
Rot. Bonds9

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

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea (PubChem CID 16735430) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea
PubChem CID16735430
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C27H32N4O2/c32-27(29-25-12-7-14-28-22-25)31(17-16-30-18-20-33-21-19-30)15-13-26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,14,22,26H,13,15-21H2,(H,29,32)
InChIKeyKWQYOYGXHUDXPO-UHFFFAOYSA-N
XLogP4.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.47
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-pyridin-3-ylurea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea (CID 16735430) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea?
The InChIKey is KWQYOYGXHUDXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c32-27(29-25-12-7-14-28-22-25)31(17-16-30-18-20-33-21-19-30)15-13-26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-12,14,22,26H,13,15-21H2,(H,29,32).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea has a molecular weight of 444.58 g/mol, XLogP of 4.47, 9 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-pyridin-3-ylurea is sourced from PubChem (CID 16735430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).