N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide

C11H19F3N2O — CID 113327343

IUPACN-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide
SMILESO=C(CNCCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)6-3-7-15-8-10(17)16-9-4-1-2-5-9/h9,15H,1-8H2,(H,16,17)
InChIKeyAYNRFKCGNXQEDF-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.98
Rot. Bonds6

About N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide

N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide (PubChem CID 113327343) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide
PubChem CID113327343
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide
SMILESO=C(CNCCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)6-3-7-15-8-10(17)16-9-4-1-2-5-9/h9,15H,1-8H2,(H,16,17)
InChIKeyAYNRFKCGNXQEDF-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide 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-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 115518172
N-cyclopentyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 114187749
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-cyclopentyl-2-(4-hydroxypentylamino)acetamide
CID 106131018
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176276
2-(3-butoxypropylamino)-N-cycloheptylacetamide
CID 115571481
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
2-(3-aminopropylamino)-N-cyclopropylacetamide
CID 62274184
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
N-cyclopentyl-2-(4-propan-2-yloxybutylamino)acetamide
CID 114136865

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide?
The IUPAC name of N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide (CID 113327343) is N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide is O=C(CNCCCC(F)(F)F)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide?
The InChIKey is AYNRFKCGNXQEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)6-3-7-15-8-10(17)16-9-4-1-2-5-9/h9,15H,1-8H2,(H,16,17).
What are the key properties of N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide?
N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide is sourced from PubChem (CID 113327343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).