1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea

C16H24N2O — CID 108911176

IUPAC1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCCC(C)c1ccccc1NC(=O)N/C=C/C(C)C
InChIInChI=1S/C16H24N2O/c1-5-13(4)14-8-6-7-9-15(14)18-16(19)17-11-10-12(2)3/h6-13H,5H2,1-4H3,(H2,17,18,19)/b11-10+
InChIKeyQPZFDCSCMKKUMX-ZHACJKMWSA-N
MW260.38 g/mol
LogP4.49
Rot. Bonds5

About 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea

1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108911176) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108911176
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCCC(C)c1ccccc1NC(=O)N/C=C/C(C)C
InChIInChI=1S/C16H24N2O/c1-5-13(4)14-8-6-7-9-15(14)18-16(19)17-11-10-12(2)3/h6-13H,5H2,1-4H3,(H2,17,18,19)/b11-10+
InChIKeyQPZFDCSCMKKUMX-ZHACJKMWSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904492
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CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
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1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
1-benzhydryl-3-(2-butan-2-ylphenyl)urea
CID 108867576
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
CID 823948
1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 108899158

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea (CID 108911176) is 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea is CCC(C)c1ccccc1NC(=O)N/C=C/C(C)C.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is QPZFDCSCMKKUMX-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-13(4)14-8-6-7-9-15(14)18-16(19)17-11-10-12(2)3/h6-13H,5H2,1-4H3,(H2,17,18,19)/b11-10+.
What are the key properties of 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 260.38 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108911176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).