1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea

C13H18N2O — CID 108909730

IUPAC1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C13H18N2O/c1-3-9-14-13(16)15-10-8-12-6-4-11(2)5-7-12/h3-7,9H,8,10H2,1-2H3,(H2,14,15,16)/b9-3+
InChIKeyLJGVTSUCLSWOTH-YCRREMRBSA-N
MW218.30 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea

1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea (PubChem CID 108909730) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
PubChem CID108909730
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C13H18N2O/c1-3-9-14-13(16)15-10-8-12-6-4-11(2)5-7-12/h3-7,9H,8,10H2,1-2H3,(H2,14,15,16)/b9-3+
InChIKeyLJGVTSUCLSWOTH-YCRREMRBSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
N-[2-(4-methylphenyl)ethyl]but-2-enamide
CID 91331870
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108908257
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
CID 115176502
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea (CID 108909730) is 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)NCCc1ccc(C)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea?
The InChIKey is LJGVTSUCLSWOTH-YCRREMRBSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-14-13(16)15-10-8-12-6-4-11(2)5-7-12/h3-7,9H,8,10H2,1-2H3,(H2,14,15,16)/b9-3+.
What are the key properties of 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea?
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea has a molecular weight of 218.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).