N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H21F3N2O — CID 113235209

IUPACN-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1CCCC(CNC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-9-3-2-4-10(5-9)6-17-11(18)7-16-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyLMQGHOODVZRMMS-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.08
Rot. Bonds5

About N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113235209) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113235209
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC1CCCC(CNC(=O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-9-3-2-4-10(5-9)6-17-11(18)7-16-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyLMQGHOODVZRMMS-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 107296147
2-(1-aminocyclopentyl)-N-[(3-methylcyclohexyl)methyl]acetamide
CID 114130650
(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide
CID 103884935
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958144
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039779
3-methyl-N-[(3-methylcyclohexyl)methyl]but-2-enamide
CID 130157819
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119750255
N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176452
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
N-(2-methylcyclopropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958386

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113235209) is N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC1CCCC(CNC(=O)CNCC(F)(F)F)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LMQGHOODVZRMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9-3-2-4-10(5-9)6-17-11(18)7-16-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 266.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113235209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).