1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea

C21H20N2O — CID 134799082

IUPAC1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O/c1-23(21(24)22-20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,22,24)
InChIKeyGHBULALKCJGKPQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.02
Rot. Bonds4

About 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea

1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea (PubChem CID 134799082) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
PubChem CID134799082
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O/c1-23(21(24)22-20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,22,24)
InChIKeyGHBULALKCJGKPQ-UHFFFAOYSA-N
XLogP5.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea
CID 122563898
1-[(5-bromothiophen-3-yl)methyl]-1-methyl-3-phenylurea
CID 47390277
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
1-[[2-(aminomethyl)phenyl]methyl]-1-methyl-3-phenylurea
CID 60922077
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea?
The IUPAC name of 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea (CID 134799082) is 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea?
The canonical SMILES for 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea?
The InChIKey is GHBULALKCJGKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-23(21(24)22-20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,22,24).
What are the key properties of 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea?
1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea has a molecular weight of 316.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea is sourced from PubChem (CID 134799082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).