1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea

C13H18N2O — CID 108909398

IUPAC1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C13H18N2O/c1-4-9-14-13(16)15-12-7-5-11(6-8-12)10(2)3/h4-10H,1-3H3,(H2,14,15,16)/b9-4+
InChIKeyIDTQSTLUADRITK-RUDMXATFSA-N
MW218.30 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea

1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909398) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909398
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C13H18N2O/c1-4-9-14-13(16)15-12-7-5-11(6-8-12)10(2)3/h4-10H,1-3H3,(H2,14,15,16)/b9-4+
InChIKeyIDTQSTLUADRITK-RUDMXATFSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea (CID 108909398) is 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is IDTQSTLUADRITK-RUDMXATFSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-9-14-13(16)15-12-7-5-11(6-8-12)10(2)3/h4-10H,1-3H3,(H2,14,15,16)/b9-4+.
What are the key properties of 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea?
1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 218.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).