N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide

C13H24F2N2O2 — CID 103860797

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H24F2N2O2/c1-12(19,9-17(2)3)8-16-11(18)10-4-6-13(14,15)7-5-10/h10,19H,4-9H2,1-3H3,(H,16,18)
InChIKeyANHROQDSTMPRRB-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.24
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 103860797) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID103860797
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H24F2N2O2/c1-12(19,9-17(2)3)8-16-11(18)10-4-6-13(14,15)7-5-10/h10,19H,4-9H2,1-3H3,(H,16,18)
InChIKeyANHROQDSTMPRRB-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide 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

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide
CID 103840050
2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 166244346
(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 71910887
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 103840212
(2S)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106148329
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106148501
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide
CID 106146098
3-amino-3-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 114150174
(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106148540
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 106148531

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide (CID 103860797) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide is CN(C)CC(C)(O)CNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is ANHROQDSTMPRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-12(19,9-17(2)3)8-16-11(18)10-4-6-13(14,15)7-5-10/h10,19H,4-9H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 103860797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).