1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C16H24N2O — CID 108914983

IUPAC1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NC(C)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-12(16(3,4)5)11-17-15(19)18-13(2)14-9-7-6-8-10-14/h6-11,13H,1-5H3,(H2,17,18,19)/b12-11+
InChIKeyJSFCQAUSVHPWGY-VAWYXSNFSA-N
MW260.38 g/mol
LogP4.00
Rot. Bonds3

About 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108914983) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108914983
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NC(C)c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-12(16(3,4)5)11-17-15(19)18-13(2)14-9-7-6-8-10-14/h6-11,13H,1-5H3,(H2,17,18,19)/b12-11+
InChIKeyJSFCQAUSVHPWGY-VAWYXSNFSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
1-(1-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910190
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
CID 61187475
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(1-phenylethyl)urea
CID 109389617
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
1-[(1S)-1-phenylethyl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 163139296
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108914983) is 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is C/C(=C\NC(=O)NC(C)c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is JSFCQAUSVHPWGY-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(16(3,4)5)11-17-15(19)18-13(2)14-9-7-6-8-10-14/h6-11,13H,1-5H3,(H2,17,18,19)/b12-11+.
What are the key properties of 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 260.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108914983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).