N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide

C14H22F2N2O3 — CID 134463247

IUPACN-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide
SMILESC=C(C)C(=O)NC(C(=O)N(CC)C(=O)C(C)(C)C)C(F)F
InChIInChI=1S/C14H22F2N2O3/c1-7-18(13(21)14(4,5)6)12(20)9(10(15)16)17-11(19)8(2)3/h9-10H,2,7H2,1,3-6H3,(H,17,19)
InChIKeyLNQWADOIXUGRDF-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.73
Rot. Bonds5

About N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide

N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide (PubChem CID 134463247) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide
PubChem CID134463247
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC NameN-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide
SMILESC=C(C)C(=O)NC(C(=O)N(CC)C(=O)C(C)(C)C)C(F)F
InChIInChI=1S/C14H22F2N2O3/c1-7-18(13(21)14(4,5)6)12(20)9(10(15)16)17-11(19)8(2)3/h9-10H,2,7H2,1,3-6H3,(H,17,19)
InChIKeyLNQWADOIXUGRDF-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide (CID 134463247) is N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide is C=C(C)C(=O)NC(C(=O)N(CC)C(=O)C(C)(C)C)C(F)F.
What is the InChIKey of N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is LNQWADOIXUGRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O3/c1-7-18(13(21)14(4,5)6)12(20)9(10(15)16)17-11(19)8(2)3/h9-10H,2,7H2,1,3-6H3,(H,17,19).
What are the key properties of N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide?
N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 304.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-2-(2-methylprop-2-enoylamino)propanoyl]-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 134463247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).