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

C12H18N2O — CID 47166668

IUPAC1-methyl-3-(2-methyl-2-phenylpropyl)urea
SMILESCNC(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-12(2,9-14-11(15)13-3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15)
InChIKeyAUAXPCDUVORZDQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.89
Rot. Bonds3

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

1-methyl-3-(2-methyl-2-phenylpropyl)urea (PubChem CID 47166668) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-2-phenylpropyl)urea
PubChem CID47166668
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-methyl-3-(2-methyl-2-phenylpropyl)urea
SMILESCNC(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-12(2,9-14-11(15)13-3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15)
InChIKeyAUAXPCDUVORZDQ-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
CID 115169643
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-2-phenylpropyl)urea?
The IUPAC name of 1-methyl-3-(2-methyl-2-phenylpropyl)urea (CID 47166668) is 1-methyl-3-(2-methyl-2-phenylpropyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methyl-2-phenylpropyl)urea?
The canonical SMILES for 1-methyl-3-(2-methyl-2-phenylpropyl)urea is CNC(=O)NCC(C)(C)c1ccccc1.
What is the InChIKey of 1-methyl-3-(2-methyl-2-phenylpropyl)urea?
The InChIKey is AUAXPCDUVORZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,9-14-11(15)13-3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-methyl-3-(2-methyl-2-phenylpropyl)urea?
1-methyl-3-(2-methyl-2-phenylpropyl)urea has a molecular weight of 206.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-2-phenylpropyl)urea is sourced from PubChem (CID 47166668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).