1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea

C32H35N3O3 — CID 16735045

IUPAC1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
SMILESO=C(Nc1cccc(-c2ccco2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C32H35N3O3/c36-32(33-29-14-7-13-28(25-29)31-15-8-22-38-31)35(19-18-34-20-23-37-24-21-34)17-16-30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-15,22,25,30H,16-21,23-24H2,(H,33,36)
InChIKeyCGHGDHYCILCDMZ-UHFFFAOYSA-N
MW509.65 g/mol
LogP6.33
Rot. Bonds10

About 1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea

1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 16735045) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID16735045
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC Name1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
SMILESO=C(Nc1cccc(-c2ccco2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C32H35N3O3/c36-32(33-29-14-7-13-28(25-29)31-15-8-22-38-31)35(19-18-34-20-23-37-24-21-34)17-16-30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-15,22,25,30H,16-21,23-24H2,(H,33,36)
InChIKeyCGHGDHYCILCDMZ-UHFFFAOYSA-N
XLogP6.33
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 56.33
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)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea (CID 16735045) is 1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea is O=C(Nc1cccc(-c2ccco2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is CGHGDHYCILCDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c36-32(33-29-14-7-13-28(25-29)31-15-8-22-38-31)35(19-18-34-20-23-37-24-21-34)17-16-30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-15,22,25,30H,16-21,23-24H2,(H,33,36).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea?
1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 509.65 g/mol, XLogP of 6.33, 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)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16735045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).