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

C34H37N3O2 — CID 16735042

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea
SMILESO=C(Nc1cccc(-c2ccccc2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C34H37N3O2/c38-34(35-32-18-10-17-31(27-32)28-11-4-1-5-12-28)37(22-21-36-23-25-39-26-24-36)20-19-33(29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-18,27,33H,19-26H2,(H,35,38)
InChIKeyUVBWTPFWQVLREE-UHFFFAOYSA-N
MW519.69 g/mol
LogP6.74
Rot. Bonds10

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

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea (PubChem CID 16735042) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea
PubChem CID16735042
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea
SMILESO=C(Nc1cccc(-c2ccccc2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C34H37N3O2/c38-34(35-32-18-10-17-31(27-32)28-11-4-1-5-12-28)37(22-21-36-23-25-39-26-24-36)20-19-33(29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-18,27,33H,19-26H2,(H,35,38)
InChIKeyUVBWTPFWQVLREE-UHFFFAOYSA-N
XLogP6.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea (CID 16735042) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea is O=C(Nc1cccc(-c2ccccc2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea?
The InChIKey is UVBWTPFWQVLREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c38-34(35-32-18-10-17-31(27-32)28-11-4-1-5-12-28)37(22-21-36-23-25-39-26-24-36)20-19-33(29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-18,27,33H,19-26H2,(H,35,38).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea has a molecular weight of 519.69 g/mol, XLogP of 6.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(3-phenylphenyl)urea is sourced from PubChem (CID 16735042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).