4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide

C21H25NO — CID 72568586

IUPAC4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)C=Cc1ccc(C(=O)NC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H25NO/c1-16(2)10-11-17-12-14-18(15-13-17)20(23)22-21(3,4)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,22,23)
InChIKeyXEACPVLSSYMKCW-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.02
Rot. Bonds5

About 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide

4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide (PubChem CID 72568586) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
PubChem CID72568586
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)C=Cc1ccc(C(=O)NC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H25NO/c1-16(2)10-11-17-12-14-18(15-13-17)20(23)22-21(3,4)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,22,23)
InChIKeyXEACPVLSSYMKCW-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811412
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
4-[(E)-3-methylbut-1-enyl]-N-propan-2-ylbenzamide
CID 59811427
N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811493
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 59811276
4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
N-(2-phenylpropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 175122328
2-phenylpropan-2-ylcarbamic acid
CID 23445609
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113091743

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide (CID 72568586) is 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide is CC(C)C=Cc1ccc(C(=O)NC(C)(C)c2ccccc2)cc1.
What is the InChIKey of 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide?
The InChIKey is XEACPVLSSYMKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-16(2)10-11-17-12-14-18(15-13-17)20(23)22-21(3,4)19-8-6-5-7-9-19/h5-16H,1-4H3,(H,22,23).
What are the key properties of 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide?
4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide has a molecular weight of 307.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 72568586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).