3-(2-butan-2-ylphenyl)-1,1-dimethylurea

C13H20N2O — CID 2974418

IUPAC3-(2-butan-2-ylphenyl)-1,1-dimethylurea
SMILESCCC(C)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C13H20N2O/c1-5-10(2)11-8-6-7-9-12(11)14-13(16)15(3)4/h6-10H,5H2,1-4H3,(H,14,16)
InChIKeyPLWAIKIALLNNPE-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.29
Rot. Bonds3

About 3-(2-butan-2-ylphenyl)-1,1-dimethylurea

3-(2-butan-2-ylphenyl)-1,1-dimethylurea (PubChem CID 2974418) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2-butan-2-ylphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-butan-2-ylphenyl)-1,1-dimethylurea
PubChem CID2974418
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2-butan-2-ylphenyl)-1,1-dimethylurea
SMILESCCC(C)c1ccccc1NC(=O)N(C)C
InChIInChI=1S/C13H20N2O/c1-5-10(2)11-8-6-7-9-12(11)14-13(16)15(3)4/h6-10H,5H2,1-4H3,(H,14,16)
InChIKeyPLWAIKIALLNNPE-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
CID 79154849
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
CID 8019165

Frequently Asked Questions

What is the IUPAC name of 3-(2-butan-2-ylphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(2-butan-2-ylphenyl)-1,1-dimethylurea (CID 2974418) is 3-(2-butan-2-ylphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-butan-2-ylphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-butan-2-ylphenyl)-1,1-dimethylurea is CCC(C)c1ccccc1NC(=O)N(C)C.
What is the InChIKey of 3-(2-butan-2-ylphenyl)-1,1-dimethylurea?
The InChIKey is PLWAIKIALLNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-10(2)11-8-6-7-9-12(11)14-13(16)15(3)4/h6-10H,5H2,1-4H3,(H,14,16).
What are the key properties of 3-(2-butan-2-ylphenyl)-1,1-dimethylurea?
3-(2-butan-2-ylphenyl)-1,1-dimethylurea has a molecular weight of 220.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butan-2-ylphenyl)-1,1-dimethylurea is sourced from PubChem (CID 2974418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).