N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide

C11H20F3NO3 — CID 54917438

IUPACN-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)N(CCCO)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-9(2)15(5-3-6-16)10(17)4-7-18-8-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeyAYINMUABDRKYOY-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.57
Rot. Bonds8

About N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide

N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 54917438) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID54917438
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)N(CCCO)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-9(2)15(5-3-6-16)10(17)4-7-18-8-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeyAYINMUABDRKYOY-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide (CID 54917438) is N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)N(CCCO)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is AYINMUABDRKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-9(2)15(5-3-6-16)10(17)4-7-18-8-11(12,13)14/h9,16H,3-8H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 271.28 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 54917438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).