3-benzhydryl-1,1-dimethylurea

C16H18N2O — CID 2228466

IUPAC3-benzhydryl-1,1-dimethylurea
SMILESCN(C)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(2)16(19)17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H,17,19)
InChIKeyJNUSADKECAXTAM-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.05
Rot. Bonds3

About 3-benzhydryl-1,1-dimethylurea

3-benzhydryl-1,1-dimethylurea (PubChem CID 2228466) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-benzhydryl-1,1-dimethylurea.

Molecular Properties

Compound Name3-benzhydryl-1,1-dimethylurea
PubChem CID2228466
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-benzhydryl-1,1-dimethylurea
SMILESCN(C)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-18(2)16(19)17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H,17,19)
InChIKeyJNUSADKECAXTAM-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
3-[(S)-(2-amino-5-bromophenyl)-phenylmethyl]-1,1-dimethylurea
CID 40598667
3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea
CID 110460025
3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
CID 108867415
dimethyl 2-[(dimethylcarbamoylamino)-phenylmethyl]propanedioate
CID 10638513
3-benzhydryl-1,1-dibutylurea
CID 108867480
N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide
CID 108867377
2-methylpropyl 2-(dimethylcarbamoylamino)-2-phenylacetate
CID 90967259
[2-(benzhydrylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711950
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1,1-dimethylurea?
The IUPAC name of 3-benzhydryl-1,1-dimethylurea (CID 2228466) is 3-benzhydryl-1,1-dimethylurea.
What is the SMILES notation for 3-benzhydryl-1,1-dimethylurea?
The canonical SMILES for 3-benzhydryl-1,1-dimethylurea is CN(C)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-1,1-dimethylurea?
The InChIKey is JNUSADKECAXTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(2)16(19)17-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H,17,19).
What are the key properties of 3-benzhydryl-1,1-dimethylurea?
3-benzhydryl-1,1-dimethylurea has a molecular weight of 254.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1,1-dimethylurea is sourced from PubChem (CID 2228466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).