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

C10H18F3NO3 — CID 43573602

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)N(CCO)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-8(2)14(4-5-15)9(16)3-6-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyZUJJUADGMZGETN-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.18
Rot. Bonds7

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

N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43573602) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43573602
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)N(CCO)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-8(2)14(4-5-15)9(16)3-6-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyZUJJUADGMZGETN-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.18
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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Related Compounds

N-(1-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417841
N-(1-hydroxypropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418548
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573113
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43577193
N-(3-hydroxypropyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54917438
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54925780
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54993383
N-cyclopentyl-N-(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54993977
N-(2-hydroxyethyl)-N-pentan-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 54994415
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60831042
3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039024
N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61235279

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide (CID 43573602) is N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)N(CCO)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZUJJUADGMZGETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-8(2)14(4-5-15)9(16)3-6-17-7-10(11,12)13/h8,15H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43573602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).