N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide

C14H23F3N2O3 — CID 134349524

IUPACN-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCC1CCCCC1)N(C=O)CC(F)(F)F
InChIInChI=1S/C14H23F3N2O3/c1-10(19(9-20)8-14(15,16)17)12(21)13(22)18-7-11-5-3-2-4-6-11/h9-12,21H,2-8H2,1H3,(H,18,22)
InChIKeyQKJSHLBYMWFWMH-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.45
Rot. Bonds7

About N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide

N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide (PubChem CID 134349524) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide
PubChem CID134349524
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC NameN-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCC1CCCCC1)N(C=O)CC(F)(F)F
InChIInChI=1S/C14H23F3N2O3/c1-10(19(9-20)8-14(15,16)17)12(21)13(22)18-7-11-5-3-2-4-6-11/h9-12,21H,2-8H2,1H3,(H,18,22)
InChIKeyQKJSHLBYMWFWMH-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide (CID 134349524) is N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide is CC(C(O)C(=O)NCC1CCCCC1)N(C=O)CC(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide?
The InChIKey is QKJSHLBYMWFWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-10(19(9-20)8-14(15,16)17)12(21)13(22)18-7-11-5-3-2-4-6-11/h9-12,21H,2-8H2,1H3,(H,18,22).
What are the key properties of N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide?
N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide has a molecular weight of 324.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[formyl(2,2,2-trifluoroethyl)amino]-2-hydroxybutanamide is sourced from PubChem (CID 134349524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).