3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea

C22H22N2O2 — CID 10497782

IUPAC3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-24(2)21(25)23-20-16-10-9-15-19(20)22(26,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,26H,1-2H3,(H,23,25)
InChIKeyBGPBDHYCJXTVIQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.06
Rot. Bonds4

About 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea

3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea (PubChem CID 10497782) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea
PubChem CID10497782
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-24(2)21(25)23-20-16-10-9-15-19(20)22(26,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,26H,1-2H3,(H,23,25)
InChIKeyBGPBDHYCJXTVIQ-UHFFFAOYSA-N
XLogP4.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[2-[hydroxy(diphenyl)methyl]phenyl]acetamide
CID 168522643
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
3-[(dimethylcarbamoylamino)-diphenylmethyl]-1,1-dimethylurea
CID 146447985
bis[2-(dimethylamino)phenyl]-phenylmethanol
CID 18702748
3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea
CID 134836754
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
(2-tert-butylphenyl)-diphenylmethanol
CID 139660969
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea
CID 82507361
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
CID 67750256

Frequently Asked Questions

What is the IUPAC name of 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea (CID 10497782) is 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccccc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea?
The InChIKey is BGPBDHYCJXTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-24(2)21(25)23-20-16-10-9-15-19(20)22(26,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,26H,1-2H3,(H,23,25).
What are the key properties of 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea?
3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea has a molecular weight of 346.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 10497782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).