3-tert-butyl-1-methyl-1-(2-methylphenyl)urea

C13H20N2O — CID 116655388

IUPAC3-tert-butyl-1-methyl-1-(2-methylphenyl)urea
SMILESCc1ccccc1N(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O/c1-10-8-6-7-9-11(10)15(5)12(16)14-13(2,3)4/h6-9H,1-5H3,(H,14,16)
InChIKeyNEZRQPBVDQQURJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.94
Rot. Bonds1

About 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea

3-tert-butyl-1-methyl-1-(2-methylphenyl)urea (PubChem CID 116655388) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-1-(2-methylphenyl)urea
PubChem CID116655388
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-tert-butyl-1-methyl-1-(2-methylphenyl)urea
SMILESCc1ccccc1N(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O/c1-10-8-6-7-9-11(10)15(5)12(16)14-13(2,3)4/h6-9H,1-5H3,(H,14,16)
InChIKeyNEZRQPBVDQQURJ-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301302
3-(N,2-dimethylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821859
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
2,2,2-trifluoro-N-methyl-N-(2-methylphenyl)acetamide
CID 15256877
3-tert-butyl-1-methyl-1-(4-methylphenyl)urea
CID 116655410
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea?
The IUPAC name of 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea (CID 116655388) is 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea.
What is the SMILES notation for 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea?
The canonical SMILES for 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea is Cc1ccccc1N(C)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea?
The InChIKey is NEZRQPBVDQQURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-6-7-9-11(10)15(5)12(16)14-13(2,3)4/h6-9H,1-5H3,(H,14,16).
What are the key properties of 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea?
3-tert-butyl-1-methyl-1-(2-methylphenyl)urea has a molecular weight of 220.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-1-(2-methylphenyl)urea is sourced from PubChem (CID 116655388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).