1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea

C18H20N2O — CID 110469555

IUPAC1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
SMILESCN(C(=O)NC1(c2ccccc2)CCC1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-20(16-11-6-3-7-12-16)17(21)19-18(13-8-14-18)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,19,21)
InChIKeyVEKAKOODNZPTPU-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.91
Rot. Bonds3

About 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea

1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea (PubChem CID 110469555) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
PubChem CID110469555
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
SMILESCN(C(=O)NC1(c2ccccc2)CCC1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-20(16-11-6-3-7-12-16)17(21)19-18(13-8-14-18)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,19,21)
InChIKeyVEKAKOODNZPTPU-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate
CID 110490764
1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea
CID 126783772
1,1-diethyl-3-(1-phenylcyclopropyl)urea
CID 110445142
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(1-phenylcyclobutyl)acetamide
CID 87014095
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
2-[methyl(1-phenylethyl)amino]-N-(1-phenylcyclobutyl)acetamide
CID 60500149
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
2-hydroxy-2-phenyl-N-(1-phenylcyclobutyl)acetamide
CID 110883240
2-bromo-3,3-dimethyl-N-(1-phenylcyclobutyl)butanamide
CID 12760544

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea?
The IUPAC name of 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea (CID 110469555) is 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea.
What is the SMILES notation for 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea?
The canonical SMILES for 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea is CN(C(=O)NC1(c2ccccc2)CCC1)c1ccccc1.
What is the InChIKey of 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea?
The InChIKey is VEKAKOODNZPTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(16-11-6-3-7-12-16)17(21)19-18(13-8-14-18)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,19,21).
What are the key properties of 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea?
1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea has a molecular weight of 280.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea is sourced from PubChem (CID 110469555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).