1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea

C22H28N2O3 — CID 86266701

IUPAC1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea
SMILESO=C(NCCC(O)C1CCOCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O3/c25-20(17-12-15-27-16-13-17)11-14-23-22(26)24-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20-21,25H,11-16H2,(H2,23,24,26)
InChIKeyCCYFLWNJZJJNEV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.25
Rot. Bonds7

About 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea

1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea (PubChem CID 86266701) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea
PubChem CID86266701
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea
SMILESO=C(NCCC(O)C1CCOCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N2O3/c25-20(17-12-15-27-16-13-17)11-14-23-22(26)24-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20-21,25H,11-16H2,(H2,23,24,26)
InChIKeyCCYFLWNJZJJNEV-UHFFFAOYSA-N
XLogP3.25
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea?
The IUPAC name of 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea (CID 86266701) is 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea?
The canonical SMILES for 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea is O=C(NCCC(O)C1CCOCC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea?
The InChIKey is CCYFLWNJZJJNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-20(17-12-15-27-16-13-17)11-14-23-22(26)24-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20-21,25H,11-16H2,(H2,23,24,26).
What are the key properties of 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea?
1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea has a molecular weight of 368.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea is sourced from PubChem (CID 86266701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).