2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide

C20H23F3N2O5 — CID 38789086

IUPAC2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC[C@@](O)(c1ccc(C)o1)C(F)(F)F
InChIInChI=1S/C20H23F3N2O5/c1-3-29-15-7-5-4-6-14(15)18(27)25-12-17(26)24-11-10-19(28,20(21,22)23)16-9-8-13(2)30-16/h4-9,28H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyXVNLGPVNCHEGTM-LJQANCHMSA-N
MW428.41 g/mol
LogP2.67
Rot. Bonds9

About 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide

2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide (PubChem CID 38789086) has the molecular formula C20H23F3N2O5 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide
PubChem CID38789086
Molecular FormulaC20H23F3N2O5
Molecular Weight428.41 g/mol
Exact Mass428.16
IUPAC Name2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC[C@@](O)(c1ccc(C)o1)C(F)(F)F
InChIInChI=1S/C20H23F3N2O5/c1-3-29-15-7-5-4-6-14(15)18(27)25-12-17(26)24-11-10-19(28,20(21,22)23)16-9-8-13(2)30-16/h4-9,28H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyXVNLGPVNCHEGTM-LJQANCHMSA-N
XLogP2.67
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide with MolForge

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Related Compounds

N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 41375551
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide
CID 94144374
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 47058897
1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
CID 94050588
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 43061330

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide (CID 38789086) is 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NCC[C@@](O)(c1ccc(C)o1)C(F)(F)F.
What is the InChIKey of 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide?
The InChIKey is XVNLGPVNCHEGTM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23F3N2O5/c1-3-29-15-7-5-4-6-14(15)18(27)25-12-17(26)24-11-10-19(28,20(21,22)23)16-9-8-13(2)30-16/h4-9,28H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)/t19-/m1/s1.
What are the key properties of 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide?
2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide has a molecular weight of 428.41 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide is sourced from PubChem (CID 38789086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).