N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

C11H19F3N2O2 — CID 87322369

IUPACN-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCC(C)NC(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(2)16-9(17)6-4-3-5-7-15-10(18)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZGPBIVDRCQYVPU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.75
Rot. Bonds7

About N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 87322369) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
PubChem CID87322369
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCC(C)NC(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(2)16-9(17)6-4-3-5-7-15-10(18)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZGPBIVDRCQYVPU-UHFFFAOYSA-N
XLogP1.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,8-Diazacyclotetradecane-2,9-dione
CID 16
Nylon-66
CID 36070
1,8-Diazacyclotetradecane-2,7-dione
CID 283592
Poly(imino(1,6-dioxo-1,6-hexanediyl)imino-1,6-hexanediyl)
CID 3032893
Hexanamide, N-isopropyl
CID 528620
N-[2-(hexanoylamino)propyl]hexanamide
CID 4431095
N,N'-bis(Perfluorobutanoyl)1,6-hexanediamine
CID 4396391
2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
CID 4686073
N-[3-(Dimethylamino)propyl]-perfluorohexanamide
CID 139596925
6-Acetamidohexanamide
CID 21103226
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide
CID 10563118
6-acetamido-N-methylhexanamide
CID 341836

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 87322369) is N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is CC(C)NC(=O)CCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is ZGPBIVDRCQYVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)16-9(17)6-4-3-5-7-15-10(18)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 268.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 87322369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).