N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

C13H23F3N2O3 — CID 163783100

IUPACN-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCCCN(CCO)C(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H23F3N2O3/c1-2-8-18(9-10-19)11(20)6-4-3-5-7-17-12(21)13(14,15)16/h19H,2-10H2,1H3,(H,17,21)
InChIKeyMQHDGNSLDCMDTL-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.46
Rot. Bonds10

About N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide

N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 163783100) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
PubChem CID163783100
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC NameN-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESCCCN(CCO)C(=O)CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C13H23F3N2O3/c1-2-8-18(9-10-19)11(20)6-4-3-5-7-17-12(21)13(14,15)16/h19H,2-10H2,1H3,(H,17,21)
InChIKeyMQHDGNSLDCMDTL-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 163783100) is N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is CCCN(CCO)C(=O)CCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is MQHDGNSLDCMDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-2-8-18(9-10-19)11(20)6-4-3-5-7-17-12(21)13(14,15)16/h19H,2-10H2,1H3,(H,17,21).
What are the key properties of N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide?
N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 312.33 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propyl-6-[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 163783100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).