2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide

C28H32F5N3O6 — CID 137366016

IUPAC2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide
SMILESCCc1ccccc1C(F)(F)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C28H32F5N3O6/c1-5-16-8-6-7-9-19(16)27(29,30)26(41)34-20(14-37)24(39)36-22(17-10-12-18(42-4)13-11-17)25(40)35-21(15(2)3)23(38)28(31,32)33/h6-13,15,20-22,37H,5,14H2,1-4H3,(H,34,41)(H,35,40)(H,36,39)
InChIKeyOFQXXAZKZBSKLR-UHFFFAOYSA-N
MW601.57 g/mol
LogP2.96
Rot. Bonds13

About 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide

2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide (PubChem CID 137366016) has the molecular formula C28H32F5N3O6 and a molecular weight of 601.57 g/mol. Its IUPAC name is 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide
PubChem CID137366016
Molecular FormulaC28H32F5N3O6
Molecular Weight601.57 g/mol
Exact Mass601.22
IUPAC Name2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide
SMILESCCc1ccccc1C(F)(F)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C28H32F5N3O6/c1-5-16-8-6-7-9-19(16)27(29,30)26(41)34-20(14-37)24(39)36-22(17-10-12-18(42-4)13-11-17)25(40)35-21(15(2)3)23(38)28(31,32)33/h6-13,15,20-22,37H,5,14H2,1-4H3,(H,34,41)(H,35,40)(H,36,39)
InChIKeyOFQXXAZKZBSKLR-UHFFFAOYSA-N
XLogP2.96
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.57
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide with MolForge

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Related Compounds

(2S)-2-[[2,2-difluoro-2-(3-fluorophenyl)acetyl]amino]-3-hydroxy-N-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]propanamide
CID 137365579
(2S)-2-[[2-(3-chlorophenyl)-2,2-difluoroacetyl]amino]-3-(2-cyanophenyl)-N-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]propanamide
CID 137365517
2-[[2-(3-chlorophenyl)-2,2-difluoroacetyl]amino]-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]pentanediamide
CID 137365673
(2S)-2-[[2-(3-chlorophenyl)-2,2-difluoroacetyl]amino]-3-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]propanamide
CID 137365529
2-chloro-N-[1-[[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 137365603
(4S)-4-[[(2S)-2-[[(2S)-2-[[2-(2,5-dichlorophenyl)-2,2-difluoroacetyl]amino]-3-methoxypropanoyl]amino]-2-(4-methoxyphenyl)acetyl]amino]-2,2-difluoro-5-methyl-3-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 137364920
N-[(2S)-1-[[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 137365889
(2R)-2-[[2-(3,4-dichlorophenyl)-2,2-difluoroacetyl]amino]-N-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]propanamide
CID 162369442
N-[3-(2-cyanophenyl)-1-[[1-(4-methoxyphenyl)-2-oxo-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 145361254
N-[(2S)-3-(2-cyanophenyl)-1-[[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]amino]ethyl]amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 137365716
N-[(2S)-1-[[(1S)-2-[[(3S)-5,5-difluoro-2-methyl-4,6-dioxo-6-(2,2,2-trifluoroethylamino)hexan-3-yl]amino]-1-(4-methoxyphenyl)-2-oxoethyl]amino]-1-oxopropan-2-yl]benzamide
CID 137364870
3-ethoxy-N-[1-[[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 137365586

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide?
The IUPAC name of 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide (CID 137366016) is 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide.
What is the SMILES notation for 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide?
The canonical SMILES for 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide is CCc1ccccc1C(F)(F)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)C(F)(F)F)C(C)C)c1ccc(OC)cc1.
What is the InChIKey of 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide?
The InChIKey is OFQXXAZKZBSKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F5N3O6/c1-5-16-8-6-7-9-19(16)27(29,30)26(41)34-20(14-37)24(39)36-22(17-10-12-18(42-4)13-11-17)25(40)35-21(15(2)3)23(38)28(31,32)33/h6-13,15,20-22,37H,5,14H2,1-4H3,(H,34,41)(H,35,40)(H,36,39).
What are the key properties of 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide?
2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide has a molecular weight of 601.57 g/mol, XLogP of 2.96, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylphenyl)-2,2-difluoroacetyl]amino]-3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]propanamide is sourced from PubChem (CID 137366016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).