2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane

C21H39F3N4O4 — CID 166157091

IUPAC2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
SMILESCC(=O)NC(C)C(N)=O.CC(C)C.CCC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChIInChI=1S/C12H19F3N2O2.C5H10N2O2.C4H10/c1-4-8-6-17(7-11(8,2)3)9(18)5-16-10(19)12(13,14)15;1-3(5(6)9)7-4(2)8;1-4(2)3/h8H,4-7H2,1-3H3,(H,16,19);3H,1-2H3,(H2,6,9)(H,7,8);4H,1-3H3
InChIKeyXXLMRBATSXKDPM-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.22
Rot. Bonds5

About 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane

2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane (PubChem CID 166157091) has the molecular formula C21H39F3N4O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane.

Molecular Properties

Compound Name2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
PubChem CID166157091
Molecular FormulaC21H39F3N4O4
Molecular Weight468.56 g/mol
Exact Mass468.29
IUPAC Name2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
SMILESCC(=O)NC(C)C(N)=O.CC(C)C.CCC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChIInChI=1S/C12H19F3N2O2.C5H10N2O2.C4H10/c1-4-8-6-17(7-11(8,2)3)9(18)5-16-10(19)12(13,14)15;1-3(5(6)9)7-4(2)8;1-4(2)3/h8H,4-7H2,1-3H3,(H,16,19);3H,1-2H3,(H2,6,9)(H,7,8);4H,1-3H3
InChIKeyXXLMRBATSXKDPM-UHFFFAOYSA-N
XLogP2.22
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The IUPAC name of 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane (CID 166157091) is 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane.
What is the SMILES notation for 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The canonical SMILES for 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane is CC(=O)NC(C)C(N)=O.CC(C)C.CCC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.
What is the InChIKey of 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
The InChIKey is XXLMRBATSXKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2.C5H10N2O2.C4H10/c1-4-8-6-17(7-11(8,2)3)9(18)5-16-10(19)12(13,14)15;1-3(5(6)9)7-4(2)8;1-4(2)3/h8H,4-7H2,1-3H3,(H,16,19);3H,1-2H3,(H2,6,9)(H,7,8);4H,1-3H3.
What are the key properties of 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane?
2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane has a molecular weight of 468.56 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidopropanamide;N-[2-(4-ethyl-3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane is sourced from PubChem (CID 166157091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).