1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea

C17H26N2O — CID 108903266

IUPAC1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C17H26N2O/c1-16(2,3)13-17(4,5)19-15(20)18-12-11-14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H2,18,19,20)/b12-11+
InChIKeyPNMDJTRRXUZVHD-VAWYXSNFSA-N
MW274.41 g/mol
LogP4.17
Rot. Bonds4

About 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea

1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 108903266) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID108903266
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C17H26N2O/c1-16(2,3)13-17(4,5)19-15(20)18-12-11-14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H2,18,19,20)/b12-11+
InChIKeyPNMDJTRRXUZVHD-VAWYXSNFSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108908849
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108904384
1-[(E)-3,3-dimethylbut-1-enyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108911441
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
N-(2-phenylethenyl)acetamide
CID 54032077
(E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 94842470
2-phenylethenylcarbamic acid
CID 151881054
2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
CID 144801292
1-hydroxy-3-[(E)-2-(4-phenylphenyl)ethenyl]urea
CID 122191260
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108904876
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea (CID 108903266) is 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea is CC(C)(C)CC(C)(C)NC(=O)N/C=C/c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is PNMDJTRRXUZVHD-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2,3)13-17(4,5)19-15(20)18-12-11-14-9-7-6-8-10-14/h6-12H,13H2,1-5H3,(H2,18,19,20)/b12-11+.
What are the key properties of 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea?
1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 274.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 108903266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).