1-benzhydryl-3-(oxolan-2-yl)urea

C18H20N2O2 — CID 108887792

IUPAC1-benzhydryl-3-(oxolan-2-yl)urea
SMILESO=C(NC1CCCO1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(19-16-12-7-13-22-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H2,19,20,21)
InChIKeyIPVCQWVFYQKZAL-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.21
Rot. Bonds4

About 1-benzhydryl-3-(oxolan-2-yl)urea

1-benzhydryl-3-(oxolan-2-yl)urea (PubChem CID 108887792) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-benzhydryl-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(oxolan-2-yl)urea
PubChem CID108887792
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-benzhydryl-3-(oxolan-2-yl)urea
SMILESO=C(NC1CCCO1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(19-16-12-7-13-22-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H2,19,20,21)
InChIKeyIPVCQWVFYQKZAL-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-2-yl)benzamide
CID 3717262
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
1-(oxolan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 110706700
1-naphthalen-1-yl-3-(oxolan-2-yl)urea
CID 108887867
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea
CID 110706756
(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
CID 134925712
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-(benzhydrylcarbamoyl)benzamide
CID 2850647
1-cyclododecyl-3-(oxolan-2-yl)urea
CID 108887824

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(oxolan-2-yl)urea?
The IUPAC name of 1-benzhydryl-3-(oxolan-2-yl)urea (CID 108887792) is 1-benzhydryl-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-benzhydryl-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-benzhydryl-3-(oxolan-2-yl)urea is O=C(NC1CCCO1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(oxolan-2-yl)urea?
The InChIKey is IPVCQWVFYQKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(19-16-12-7-13-22-16)20-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H2,19,20,21).
What are the key properties of 1-benzhydryl-3-(oxolan-2-yl)urea?
1-benzhydryl-3-(oxolan-2-yl)urea has a molecular weight of 296.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(oxolan-2-yl)urea is sourced from PubChem (CID 108887792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).