2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide

C10H17F3N2O2Si — CID 54265169

IUPAC2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCC[Si](F)(F)F
InChIInChI=1S/C10H17F3N2O2Si/c1-4-8(16)15-10(2,3)9(17)14-6-5-7-18(11,12)13/h4H,1,5-7H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyRGFYMTPJCRCNDA-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.42
Rot. Bonds7

About 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide

2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide (PubChem CID 54265169) has the molecular formula C10H17F3N2O2Si and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide
PubChem CID54265169
Molecular FormulaC10H17F3N2O2Si
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Name2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCC[Si](F)(F)F
InChIInChI=1S/C10H17F3N2O2Si/c1-4-8(16)15-10(2,3)9(17)14-6-5-7-18(11,12)13/h4H,1,5-7H2,2-3H3,(H,14,17)(H,15,16)
InChIKeyRGFYMTPJCRCNDA-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide?
The IUPAC name of 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide (CID 54265169) is 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide.
What is the SMILES notation for 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide?
The canonical SMILES for 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide is C=CC(=O)NC(C)(C)C(=O)NCCC[Si](F)(F)F.
What is the InChIKey of 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide?
The InChIKey is RGFYMTPJCRCNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2Si/c1-4-8(16)15-10(2,3)9(17)14-6-5-7-18(11,12)13/h4H,1,5-7H2,2-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide?
2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide has a molecular weight of 282.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoylamino)-N-(3-trifluorosilylpropyl)propanamide is sourced from PubChem (CID 54265169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).