1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea

C14H20N2O — CID 108910430

IUPAC1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1ccccc1C(C)CC
InChIInChI=1S/C14H20N2O/c1-5-11(4)12-8-6-7-9-13(12)16-14(17)15-10(2)3/h6-9,11H,2,5H2,1,3-4H3,(H2,15,16,17)
InChIKeyCIRVQLKJPAVQDQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea

1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea (PubChem CID 108910430) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
PubChem CID108910430
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1ccccc1C(C)CC
InChIInChI=1S/C14H20N2O/c1-5-11(4)12-8-6-7-9-13(12)16-14(17)15-10(2)3/h6-9,11H,2,5H2,1,3-4H3,(H2,15,16,17)
InChIKeyCIRVQLKJPAVQDQ-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
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
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
CID 823948
1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911176
1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea (CID 108910430) is 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)Nc1ccccc1C(C)CC.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea?
The InChIKey is CIRVQLKJPAVQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-11(4)12-8-6-7-9-13(12)16-14(17)15-10(2)3/h6-9,11H,2,5H2,1,3-4H3,(H2,15,16,17).
What are the key properties of 1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea?
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea has a molecular weight of 232.33 g/mol, XLogP of 3.86, 4 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-prop-1-en-2-ylurea is sourced from PubChem (CID 108910430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).