2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide

C16H21NO2 — CID 174583439

IUPAC2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide
SMILESCCC(=O)N(C=Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H21NO2/c1-5-14(18)17(15(19)16(2,3)4)12-11-13-9-7-6-8-10-13/h6-12H,5H2,1-4H3
InChIKeyZZIFNRJGEANXQF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.47
Rot. Bonds3

About 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide

2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide (PubChem CID 174583439) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide
PubChem CID174583439
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide
SMILESCCC(=O)N(C=Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H21NO2/c1-5-14(18)17(15(19)16(2,3)4)12-11-13-9-7-6-8-10-13/h6-12H,5H2,1-4H3
InChIKeyZZIFNRJGEANXQF-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide?
The IUPAC name of 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide (CID 174583439) is 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide is CCC(=O)N(C=Cc1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide?
The InChIKey is ZZIFNRJGEANXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-5-14(18)17(15(19)16(2,3)4)12-11-13-9-7-6-8-10-13/h6-12H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide?
2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-phenylethenyl)-N-propanoylpropanamide is sourced from PubChem (CID 174583439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).