N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane

C21H33NO — CID 143775183

IUPACN-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane
SMILESC=Cc1ccc(C(C)(C)CC(C)(C)NC(C)=O)cc1C=C.CC
InChIInChI=1S/C19H27NO.C2H6/c1-8-15-10-11-17(12-16(15)9-2)18(4,5)13-19(6,7)20-14(3)21;1-2/h8-12H,1-2,13H2,3-7H3,(H,20,21);1-2H3
InChIKeyVBJYHLJUGSZEEY-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.58
Rot. Bonds6

About N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane

N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane (PubChem CID 143775183) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane
PubChem CID143775183
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC NameN-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane
SMILESC=Cc1ccc(C(C)(C)CC(C)(C)NC(C)=O)cc1C=C.CC
InChIInChI=1S/C19H27NO.C2H6/c1-8-15-10-11-17(12-16(15)9-2)18(4,5)13-19(6,7)20-14(3)21;1-2/h8-12H,1-2,13H2,3-7H3,(H,20,21);1-2H3
InChIKeyVBJYHLJUGSZEEY-UHFFFAOYSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane?
The IUPAC name of N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane (CID 143775183) is N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane.
What is the SMILES notation for N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane?
The canonical SMILES for N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane is C=Cc1ccc(C(C)(C)CC(C)(C)NC(C)=O)cc1C=C.CC.
What is the InChIKey of N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane?
The InChIKey is VBJYHLJUGSZEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO.C2H6/c1-8-15-10-11-17(12-16(15)9-2)18(4,5)13-19(6,7)20-14(3)21;1-2/h8-12H,1-2,13H2,3-7H3,(H,20,21);1-2H3.
What are the key properties of N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane?
N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane has a molecular weight of 315.50 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,4-bis(ethenyl)phenyl]-2,4-dimethylpentan-2-yl]acetamide;ethane is sourced from PubChem (CID 143775183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).