1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea

C16H24N2O — CID 108914569

IUPAC1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea
SMILESC/C(=C\NC(=O)Nc1ccccc1C(C)C)C(C)C
InChIInChI=1S/C16H24N2O/c1-11(2)13(5)10-17-16(19)18-15-9-7-6-8-14(15)12(3)4/h6-12H,1-5H3,(H2,17,18,19)/b13-10+
InChIKeyAPZXTMLNAGEBON-JLHYYAGUSA-N
MW260.38 g/mol
LogP4.49
Rot. Bonds4

About 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea

1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 108914569) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID108914569
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea
SMILESC/C(=C\NC(=O)Nc1ccccc1C(C)C)C(C)C
InChIInChI=1S/C16H24N2O/c1-11(2)13(5)10-17-16(19)18-15-9-7-6-8-14(15)12(3)4/h6-12H,1-5H3,(H2,17,18,19)/b13-10+
InChIKeyAPZXTMLNAGEBON-JLHYYAGUSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexylidenemethyl)-3-(2-propan-2-ylphenyl)urea
CID 108912386
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
CID 43328847
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
1-(5-chloro-2-hydroxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914686
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea (CID 108914569) is 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea is C/C(=C\NC(=O)Nc1ccccc1C(C)C)C(C)C.
What is the InChIKey of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is APZXTMLNAGEBON-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)13(5)10-17-16(19)18-15-9-7-6-8-14(15)12(3)4/h6-12H,1-5H3,(H2,17,18,19)/b13-10+.
What are the key properties of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea?
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 260.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 108914569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).