N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide

C16H18F6N2O2 — CID 16763914

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(NCC1CCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H18F6N2O2/c17-15(18,19)14(16(20,21)22,23-10-12-7-4-8-26-12)24-13(25)9-11-5-2-1-3-6-11/h1-3,5-6,12,23H,4,7-10H2,(H,24,25)
InChIKeyFCXXKBDMBSDFCK-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.93
Rot. Bonds6

About N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide

N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide (PubChem CID 16763914) has the molecular formula C16H18F6N2O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide
PubChem CID16763914
Molecular FormulaC16H18F6N2O2
Molecular Weight384.32 g/mol
Exact Mass384.13
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(NCC1CCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H18F6N2O2/c17-15(18,19)14(16(20,21)22,23-10-12-7-4-8-26-12)24-13(25)9-11-5-2-1-3-6-11/h1-3,5-6,12,23H,4,7-10H2,(H,24,25)
InChIKeyFCXXKBDMBSDFCK-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-3-[(2-phenylacetyl)amino]thiourea
CID 27038823
[(2S)-oxolan-2-yl]methyl-[(1R)-2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]azanium
CID 7378457
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
2-methyl-2-(oxolan-2-ylmethylamino)-3-phenylpropanenitrile
CID 114994373
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
2-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
N-(oxolan-2-ylmethyl)-2-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 4935553

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide (CID 16763914) is N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(NCC1CCCO1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide?
The InChIKey is FCXXKBDMBSDFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N2O2/c17-15(18,19)14(16(20,21)22,23-10-12-7-4-8-26-12)24-13(25)9-11-5-2-1-3-6-11/h1-3,5-6,12,23H,4,7-10H2,(H,24,25).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide?
N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide has a molecular weight of 384.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(oxolan-2-ylmethylamino)propan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 16763914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).