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

C11H21Cl3N2O — CID 2252471

IUPAC2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide
SMILESCCN(CC)[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C11H21Cl3N2O/c1-6-16(7-2)8(11(12,13)14)15-9(17)10(3,4)5/h8H,6-7H2,1-5H3,(H,15,17)/t8-/m1/s1
InChIKeyHVVJUXFOQXODOL-MRVPVSSYSA-N
MW303.66 g/mol
LogP3.19
Rot. Bonds4

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

2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide (PubChem CID 2252471) has the molecular formula C11H21Cl3N2O and a molecular weight of 303.66 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide
PubChem CID2252471
Molecular FormulaC11H21Cl3N2O
Molecular Weight303.66 g/mol
Exact Mass302.07
IUPAC Name2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide
SMILESCCN(CC)[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C11H21Cl3N2O/c1-6-16(7-2)8(11(12,13)14)15-9(17)10(3,4)5/h8H,6-7H2,1-5H3,(H,15,17)/t8-/m1/s1
InChIKeyHVVJUXFOQXODOL-MRVPVSSYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.66
LogP ≤ 53.19
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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Related Compounds

2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide
CID 3091311
2,2-dimethyl-N-[2,2,2-trichloro-1-(dibenzylamino)ethyl]propanamide
CID 2829847
N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 139776232
N-(4-chlorobutan-2-yl)-2,2-dimethylpropanamide
CID 83178433
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
CID 170029722
diethyl 2-(2,2-dimethylpropanoylamino)propanedioate
CID 43423034
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781
N-[5-(2,2-dimethylpropanoylamino)-5-methylhexan-2-yl]-2,2-dimethylpropanamide
CID 146233535
(4R)-4-(diethylamino)-2,2-dimethylhexan-3-one
CID 59668998
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 106182519
N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide
CID 19187679

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide (CID 2252471) is 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide is CCN(CC)[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide?
The InChIKey is HVVJUXFOQXODOL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21Cl3N2O/c1-6-16(7-2)8(11(12,13)14)15-9(17)10(3,4)5/h8H,6-7H2,1-5H3,(H,15,17)/t8-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide?
2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide has a molecular weight of 303.66 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 2252471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).