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

C13H23Cl3N2O — CID 3096961

IUPAC2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NC(NC1CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C13H23Cl3N2O/c1-12(2,3)11(19)18-10(13(14,15)16)17-9-7-5-4-6-8-9/h9-10,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyXHOUYHOVQHYXQI-UHFFFAOYSA-N
MW329.70 g/mol
LogP3.77
Rot. Bonds3

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

2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide (PubChem CID 3096961) has the molecular formula C13H23Cl3N2O and a molecular weight of 329.70 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide
PubChem CID3096961
Molecular FormulaC13H23Cl3N2O
Molecular Weight329.70 g/mol
Exact Mass328.09
IUPAC Name2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide
SMILESCC(C)(C)C(=O)NC(NC1CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C13H23Cl3N2O/c1-12(2,3)11(19)18-10(13(14,15)16)17-9-7-5-4-6-8-9/h9-10,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyXHOUYHOVQHYXQI-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.70
LogP ≤ 53.77
H-Bond Donors ≤ 52
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'}

Analyze 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(cyclohexylamino)ethyl]cyclopropane-1-carboxamide
CID 34315492
3-phenyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]prop-2-enamide
CID 3096947
2-chloro-N-cyclohexyl-2-methylpropanamide
CID 70600650
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
N-[(1S)-2,2,2-trichloro-1-(cyclopentylamino)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 1192101
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
2,2-dimethyl-N-(4-methylcycloheptyl)propanamide
CID 102795217

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide (CID 3096961) is 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide is CC(C)(C)C(=O)NC(NC1CCCCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide?
The InChIKey is XHOUYHOVQHYXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl3N2O/c1-12(2,3)11(19)18-10(13(14,15)16)17-9-7-5-4-6-8-9/h9-10,17H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide?
2,2-dimethyl-N-[2,2,2-trichloro-1-(cyclohexylamino)ethyl]propanamide has a molecular weight of 329.70 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 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-(cyclohexylamino)ethyl]propanamide is sourced from PubChem (CID 3096961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).