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

C34H37N3O2 — CID 16735041

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C34H37N3O2/c38-34(35-32-18-16-29(17-19-32)28-10-4-1-5-11-28)37(23-22-36-24-26-39-27-25-36)21-20-33(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,33H,20-27H2,(H,35,38)
InChIKeyYDEVVQSWZMOZSN-UHFFFAOYSA-N
MW519.69 g/mol
LogP6.74
Rot. Bonds10

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

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea (PubChem CID 16735041) 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-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea
PubChem CID16735041
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C34H37N3O2/c38-34(35-32-18-16-29(17-19-32)28-10-4-1-5-11-28)37(23-22-36-24-26-39-27-25-36)21-20-33(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,33H,20-27H2,(H,35,38)
InChIKeyYDEVVQSWZMOZSN-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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Related Compounds

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(6-phenyl-2-pyridinyl)urea
CID 72725152
1-(3,3-diphenylpropyl)-3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 16736322
1-(3,3-diphenylpropyl)-3-(3-methylsulfinylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 16737306
3-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 66845772
methyl 3-[[3,3-diphenylpropyl(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 69026659
3-(5-cyano-4-phenyl-1,3-thiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 72725272
3-[4-chloro-3-(3H-pyrrol-4-yl)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 70946556
3-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 59499320
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 59499345
1-(2-morpholin-4-ylethyl)-3-(4-phenyl-1,3-thiazol-2-yl)-1-(3-phenyl-3-thiophen-2-ylpropyl)urea
CID 59499346
3-(4-chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955189
1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride
CID 11955289

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea (CID 16735041) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea is O=C(Nc1ccc(-c2ccccc2)cc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea?
The InChIKey is YDEVVQSWZMOZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c38-34(35-32-18-16-29(17-19-32)28-10-4-1-5-11-28)37(23-22-36-24-26-39-27-25-36)21-20-33(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,33H,20-27H2,(H,35,38).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-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-(4-phenylphenyl)urea is sourced from PubChem (CID 16735041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).