N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C14H23F3N2O2 — CID 172907277

IUPACN-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)(C)C(NC(=O)C(F)(F)F)C(=O)NC1CCCCC1
InChIInChI=1S/C14H23F3N2O2/c1-13(2,3)10(19-12(21)14(15,16)17)11(20)18-9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKXTNZWXDMBDBMM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.53
Rot. Bonds3

About N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 172907277) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID172907277
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)(C)C(NC(=O)C(F)(F)F)C(=O)NC1CCCCC1
InChIInChI=1S/C14H23F3N2O2/c1-13(2,3)10(19-12(21)14(15,16)17)11(20)18-9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKXTNZWXDMBDBMM-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetylglycyl-N-cyclohexylisovalinamide
CID 3235937
N,N,3,3-tetramethyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907235
3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255
3,3-dimethyl-N-octyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907302
N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide
CID 3320184
N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 75484149
N-butan-2-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 121515902
(2S)-N,3,3-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 12054385
(2S)-2-amino-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 53733314
(2S)-N-butyl-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 58730383
(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 59461057

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 172907277) is N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is KXTNZWXDMBDBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-13(2,3)10(19-12(21)14(15,16)17)11(20)18-9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 308.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 172907277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).