2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 111488551

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)CCN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(15)3-4-14(2)5-8(16)13-6-9(10,11)12/h7,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyHYWWBIOUVRJYNX-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.37
Rot. Bonds6

About 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111488551) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111488551
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)CCN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-7(15)3-4-14(2)5-8(16)13-6-9(10,11)12/h7,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyHYWWBIOUVRJYNX-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
2-methyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-3-oxopropanoic acid
CID 114897590
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
2-[3-hydroxybutyl(methyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 113246213
2-[bis(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60686227
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
N-methyl-3-oxo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 54876595
ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78787831
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488603
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 79585653

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 111488551) is 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(O)CCN(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HYWWBIOUVRJYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-7(15)3-4-14(2)5-8(16)13-6-9(10,11)12/h7,15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111488551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).