1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea

C13H20N2O — CID 110459934

IUPAC1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
SMILESCN(C)C(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-13(2,10-14-12(16)15(3)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,14,16)
InChIKeySXMIVRJCGGHECW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.24
Rot. Bonds3

About 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea

1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea (PubChem CID 110459934) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
PubChem CID110459934
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
SMILESCN(C)C(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-13(2,10-14-12(16)15(3)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,14,16)
InChIKeySXMIVRJCGGHECW-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
CID 71855133
N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
CID 54886707
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
1-ethyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-1-phenylurea
CID 113213383

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea?
The IUPAC name of 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea (CID 110459934) is 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea is CN(C)C(=O)NCC(C)(C)c1ccccc1.
What is the InChIKey of 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea?
The InChIKey is SXMIVRJCGGHECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,10-14-12(16)15(3)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,14,16).
What are the key properties of 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea?
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea has a molecular weight of 220.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea is sourced from PubChem (CID 110459934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).