N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O2 — CID 115771238

IUPACN-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(CCCO)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-14(4-3-5-15)8(16)6-13-7-9(10,11)12/h13,15H,2-7H2,1H3
InChIKeyZFJQESGERZWDHW-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.37
Rot. Bonds7

About N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115771238) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115771238
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(CCCO)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-14(4-3-5-15)8(16)6-13-7-9(10,11)12/h13,15H,2-7H2,1H3
InChIKeyZFJQESGERZWDHW-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

N-(2-hydroxyethyl)-N-propyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261437
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914738
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 115771423
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957904
2-(2,2-dimethylpropylamino)-N,N-diethylacetamide
CID 61167034
N-ethyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931904
N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226531
N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 115869500
2-[(2-ethoxy-2-methylpropyl)amino]-N,N-diethylacetamide
CID 114942112
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
N,N-bis(cyclopropylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78966256
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79264374

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 115771238) is N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCN(CCCO)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ZFJQESGERZWDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-2-14(4-3-5-15)8(16)6-13-7-9(10,11)12/h13,15H,2-7H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)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 N-ethyl-N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115771238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).