2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 115666312

IUPAC2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CCCO)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-14(4-3-5-15)6-8(16)13-7-9(10,11)12/h15H,2-7H2,1H3,(H,13,16)
InChIKeyFJNXZRZQZCQPPC-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.37
Rot. Bonds7

About 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115666312) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115666312
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CCCO)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-14(4-3-5-15)6-8(16)13-7-9(10,11)12/h15H,2-7H2,1H3,(H,13,16)
InChIKeyFJNXZRZQZCQPPC-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 59089269
2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 59089270
N-(2,2-difluoro-3-hydroxypropyl)propanamide;ethane
CID 170583212
N,N'-bis(3-hydroxypropyl)ethanediamide
CID 2106430
N-butyl-N'-(3-hydroxypropyl)ethanediamide
CID 2889900
N-(3-ethoxypropyl)-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54871747
N-(3-ethoxypropyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54871761
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54874849
2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 54874895
N-(2-aminoethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)oxamide
CID 55007028
2-(ethylamino)-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55121486
N-(ethylcarbamoyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60256790

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 115666312) is 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCN(CCCO)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FJNXZRZQZCQPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-2-14(4-3-5-15)6-8(16)13-7-9(10,11)12/h15H,2-7H2,1H3,(H,13,16).
What are the key properties of 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-hydroxypropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115666312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).