2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide

C23H44F3NO2 — CID 173325025

IUPAC2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide
SMILESCCCCCCCCCCCCCCCOC(CC)N(CCC)C(=O)C(F)(F)F
InChIInChI=1S/C23H44F3NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-29-21(6-3)27(19-5-2)22(28)23(24,25)26/h21H,4-20H2,1-3H3
InChIKeyACFSBKYCVRDELW-UHFFFAOYSA-N
MW423.60 g/mol
LogP7.63
Rot. Bonds19

About 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide

2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide (PubChem CID 173325025) has the molecular formula C23H44F3NO2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide
PubChem CID173325025
Molecular FormulaC23H44F3NO2
Molecular Weight423.60 g/mol
Exact Mass423.33
IUPAC Name2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide
SMILESCCCCCCCCCCCCCCCOC(CC)N(CCC)C(=O)C(F)(F)F
InChIInChI=1S/C23H44F3NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-29-21(6-3)27(19-5-2)22(28)23(24,25)26/h21H,4-20H2,1-3H3
InChIKeyACFSBKYCVRDELW-UHFFFAOYSA-N
XLogP7.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-tetradecoxypropan-1-amine
CID 175405088
3,3,3-trifluoro-2-hexoxypropanoic acid
CID 22913377
N-[dimethyl(pentadecyl)silyl]-2,2,2-trifluoro-N-methylacetamide
CID 175690586
2,2,2-trifluoro-N-[heptyl(dimethyl)silyl]-N-methylacetamide
CID 175690640
tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
octyl 2,2,2-trifluoroacetate
CID 520219
butyl 3,3,3-trifluoro-2-hexoxypropanoate
CID 22913455
1-(1,2,2,2-tetrafluoroethoxy)hexane
CID 152744649
N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 87858972
ethyl 2-nonoxypropanoate
CID 88680880
4,4,4-trifluoro-3-heptoxybutan-1-ol
CID 19905066

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide (CID 173325025) is 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide is CCCCCCCCCCCCCCCOC(CC)N(CCC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide?
The InChIKey is ACFSBKYCVRDELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44F3NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-29-21(6-3)27(19-5-2)22(28)23(24,25)26/h21H,4-20H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide?
2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide has a molecular weight of 423.60 g/mol, XLogP of 7.63, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-pentadecoxypropyl)-N-propylacetamide is sourced from PubChem (CID 173325025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).