1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea

C14H20N2O3 — CID 111976896

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NC(C)(C)CO)c1
InChIInChI=1S/C14H20N2O3/c1-4-8-19-12-7-5-6-11(9-12)15-13(18)16-14(2,3)10-17/h4-7,9,17H,1,8,10H2,2-3H3,(H2,15,16,18)
InChIKeyXMCZLWDZVZUOAR-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.14
Rot. Bonds6

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea (PubChem CID 111976896) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea
PubChem CID111976896
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NC(C)(C)CO)c1
InChIInChI=1S/C14H20N2O3/c1-4-8-19-12-7-5-6-11(9-12)15-13(18)16-14(2,3)10-17/h4-7,9,17H,1,8,10H2,2-3H3,(H2,15,16,18)
InChIKeyXMCZLWDZVZUOAR-UHFFFAOYSA-N
XLogP2.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
CID 44999402
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561
4-[(3-prop-2-enoxyphenyl)carbamoylamino]butanoic acid
CID 122077767
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide
CID 95162921
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
1-(3-ethynylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894493
1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 43501248
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea (CID 111976896) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea is C=CCOc1cccc(NC(=O)NC(C)(C)CO)c1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea?
The InChIKey is XMCZLWDZVZUOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-8-19-12-7-5-6-11(9-12)15-13(18)16-14(2,3)10-17/h4-7,9,17H,1,8,10H2,2-3H3,(H2,15,16,18).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea has a molecular weight of 264.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea is sourced from PubChem (CID 111976896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).