N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C10H18F3NO4 — CID 54993383

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCC(O)CN(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO4/c1-14(5-8(15)6-17-2)9(16)3-4-18-7-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyJMESAGBLSRTCRX-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.42
Rot. Bonds8

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 54993383) has the molecular formula C10H18F3NO4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID54993383
Molecular FormulaC10H18F3NO4
Molecular Weight273.25 g/mol
Exact Mass273.12
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOCC(O)CN(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO4/c1-14(5-8(15)6-17-2)9(16)3-4-18-7-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyJMESAGBLSRTCRX-UHFFFAOYSA-N
XLogP0.42
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43573602
N,N-bis(2-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61235279
3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 61580397
2,2,2-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 61580985
N-(2-hydroxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 62334056
N-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 64285050
4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 65711165
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 79290667
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 79382213
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 79410738
1-[2-(Hydroxymethyl)morpholin-4-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 81209212
1-[2-(Hydroxymethyl)-5-methylmorpholin-4-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 81209264

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 54993383) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is COCC(O)CN(C)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JMESAGBLSRTCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4/c1-14(5-8(15)6-17-2)9(16)3-4-18-7-10(11,12)13/h8,15H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 273.25 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 54993383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).