2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide

C9H17Cl3N2O — CID 3091311

IUPAC2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide
SMILESCN(C)C(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C9H17Cl3N2O/c1-8(2,3)7(15)13-6(14(4)5)9(10,11)12/h6H,1-5H3,(H,13,15)
InChIKeyAQZJEDSVTATRKR-UHFFFAOYSA-N
MW275.61 g/mol
LogP2.41
Rot. Bonds2

About 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide

2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide (PubChem CID 3091311) has the molecular formula C9H17Cl3N2O and a molecular weight of 275.61 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide
PubChem CID3091311
Molecular FormulaC9H17Cl3N2O
Molecular Weight275.61 g/mol
Exact Mass274.04
IUPAC Name2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide
SMILESCN(C)C(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C9H17Cl3N2O/c1-8(2,3)7(15)13-6(14(4)5)9(10,11)12/h6H,1-5H3,(H,13,15)
InChIKeyAQZJEDSVTATRKR-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.61
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide (CID 3091311) is 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide is CN(C)C(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide?
The InChIKey is AQZJEDSVTATRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl3N2O/c1-8(2,3)7(15)13-6(14(4)5)9(10,11)12/h6H,1-5H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide?
2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide has a molecular weight of 275.61 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 3091311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).