1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea

C24H26N2O — CID 67404227

IUPAC1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O/c1-19(20-11-5-2-6-12-20)26-24(27)25-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H2,25,26,27)/t19-/m1/s1
InChIKeyCAZBDURCPDIMPA-LJQANCHMSA-N
MW358.49 g/mol
LogP5.27
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea

1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea (PubChem CID 67404227) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea
PubChem CID67404227
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O/c1-19(20-11-5-2-6-12-20)26-24(27)25-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H2,25,26,27)/t19-/m1/s1
InChIKeyCAZBDURCPDIMPA-LJQANCHMSA-N
XLogP5.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea (CID 67404227) is 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea?
The InChIKey is CAZBDURCPDIMPA-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N2O/c1-19(20-11-5-2-6-12-20)26-24(27)25-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H2,25,26,27)/t19-/m1/s1.
What are the key properties of 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea?
1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea has a molecular weight of 358.49 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 67404227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).