1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea

C24H24N2O — CID 42697732

IUPAC1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H24N2O/c1-20(17-21-11-5-2-6-12-21)18-26(19-22-13-7-3-8-14-22)24(27)25-23-15-9-4-10-16-23/h2-17H,18-19H2,1H3,(H,25,27)/b20-17+
InChIKeyFLZXCHXGDFRQAH-LVZFUZTISA-N
MW356.47 g/mol
LogP5.82
Rot. Bonds6

About 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea

1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea (PubChem CID 42697732) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea.

Molecular Properties

Compound Name1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
PubChem CID42697732
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
SMILESC/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H24N2O/c1-20(17-21-11-5-2-6-12-21)18-26(19-22-13-7-3-8-14-22)24(27)25-23-15-9-4-10-16-23/h2-17H,18-19H2,1H3,(H,25,27)/b20-17+
InChIKeyFLZXCHXGDFRQAH-LVZFUZTISA-N
XLogP5.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 6173194
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729
N-benzyl-2-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697725
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
3-(4-chlorophenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(2-pyridin-2-ylethyl)urea
CID 42697640
1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697597
1-(furan-2-ylmethyl)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-naphthalen-1-ylurea
CID 42698041
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42698044
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42697658

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea?
The IUPAC name of 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea (CID 42697732) is 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea.
What is the SMILES notation for 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea?
The canonical SMILES for 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea is C/C(=C\c1ccccc1)CN(Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea?
The InChIKey is FLZXCHXGDFRQAH-LVZFUZTISA-N. The full InChI is InChI=1S/C24H24N2O/c1-20(17-21-11-5-2-6-12-21)18-26(19-22-13-7-3-8-14-22)24(27)25-23-15-9-4-10-16-23/h2-17H,18-19H2,1H3,(H,25,27)/b20-17+.
What are the key properties of 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea?
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea has a molecular weight of 356.47 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea is sourced from PubChem (CID 42697732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).