1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea

C17H24N2O — CID 108912320

IUPAC1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)N/C=C/C2CCCCC2)c1
InChIInChI=1S/C17H24N2O/c1-14-6-5-9-16(12-14)13-19-17(20)18-11-10-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H2,18,19,20)/b11-10+
InChIKeyNYWCZWFTNZSQQC-ZHACJKMWSA-N
MW272.39 g/mol
LogP3.89
Rot. Bonds4

About 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea

1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea (PubChem CID 108912320) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
PubChem CID108912320
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
SMILESCc1cccc(CNC(=O)N/C=C/C2CCCCC2)c1
InChIInChI=1S/C17H24N2O/c1-14-6-5-9-16(12-14)13-19-17(20)18-11-10-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H2,18,19,20)/b11-10+
InChIKeyNYWCZWFTNZSQQC-ZHACJKMWSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(E)-2-cyclopentylethenyl]urea
CID 108911687
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113122642
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea (CID 108912320) is 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea is Cc1cccc(CNC(=O)N/C=C/C2CCCCC2)c1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea?
The InChIKey is NYWCZWFTNZSQQC-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-6-5-9-16(12-14)13-19-17(20)18-11-10-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H2,18,19,20)/b11-10+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea?
1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea has a molecular weight of 272.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 108912320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).