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

C24H26N2O2 — CID 134836754

IUPAC3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1cccc(C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O2/c1-26(2)23(27)25-17-16-19-10-9-15-22(18-19)24(28,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18,28H,16-17H2,1-2H3,(H,25,27)
InChIKeyUNOLXWFWEWBZHC-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.78
Rot. Bonds6

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

3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea (PubChem CID 134836754) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea
PubChem CID134836754
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1cccc(C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O2/c1-26(2)23(27)25-17-16-19-10-9-15-22(18-19)24(28,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18,28H,16-17H2,1-2H3,(H,25,27)
InChIKeyUNOLXWFWEWBZHC-UHFFFAOYSA-N
XLogP3.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.78
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

1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea
CID 83116955
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
3-[2-[[butan-2-yl(methyl)carbamoyl]amino]ethyl]benzoic acid
CID 63794758
3-[2-[di(propan-2-yl)carbamoylamino]ethyl]benzoic acid
CID 166290393
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518
3-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115246
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
1,1,3-tris(2-phenylethyl)urea
CID 123287811

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea (CID 134836754) is 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCc1cccc(C(O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea?
The InChIKey is UNOLXWFWEWBZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-26(2)23(27)25-17-16-19-10-9-15-22(18-19)24(28,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18,28H,16-17H2,1-2H3,(H,25,27).
What are the key properties of 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea?
3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea has a molecular weight of 374.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[hydroxy(diphenyl)methyl]phenyl]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 134836754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).