N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide

C26H34F3N3O2 — CID 68539739

IUPACN-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCNc2cc(F)c(CC(C)(C)C)cc21
InChIInChI=1S/C26H34F3N3O2/c1-15(33)32-24(9-16-7-18(27)11-19(28)8-16)25(34)14-31-22-5-6-30-23-12-21(29)17(10-20(22)23)13-26(2,3)4/h7-8,10-12,22,24-25,30-31,34H,5-6,9,13-14H2,1-4H3,(H,32,33)/t22-,24-,25+/m0/s1
InChIKeyGNDIKMCDPODAPR-ZKMPZPQNSA-N
MW477.57 g/mol
LogP4.25
Rot. Bonds8

About N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide

N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide (PubChem CID 68539739) has the molecular formula C26H34F3N3O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
PubChem CID68539739
Molecular FormulaC26H34F3N3O2
Molecular Weight477.57 g/mol
Exact Mass477.26
IUPAC NameN-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCNc2cc(F)c(CC(C)(C)C)cc21
InChIInChI=1S/C26H34F3N3O2/c1-15(33)32-24(9-16-7-18(27)11-19(28)8-16)25(34)14-31-22-5-6-30-23-12-21(29)17(10-20(22)23)13-26(2,3)4/h7-8,10-12,22,24-25,30-31,34H,5-6,9,13-14H2,1-4H3,(H,32,33)/t22-,24-,25+/m0/s1
InChIKeyGNDIKMCDPODAPR-ZKMPZPQNSA-N
XLogP4.25
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-4-yl]amino]butan-2-yl]acetamide
CID 68536139
N-[(3R)-1-(3,5-difluorophenyl)-4-[[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 59129130
N-[(2S,3R)-4-[[(1S)-7-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 73356673
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethyl-5,6,7,8-tetrahydroquinolin-5-yl)amino]-3-hydroxybutan-2-yl]acetamide
CID 58909387
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(5R)-3-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68538482
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 10319857
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1R)-7-(2,2-dimethylpropyl)-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68696804
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-yl]acetamide
CID 68667937
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(6-ethyl-1-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-hydroxybutan-2-yl]acetamide
CID 68534506
N-[(2S,3R)-4-[[(4S)-6-(3,3-difluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 71814504
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 68536936
N-[4-[(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 11503190

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide (CID 68539739) is N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCNc2cc(F)c(CC(C)(C)C)cc21.
What is the InChIKey of N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide?
The InChIKey is GNDIKMCDPODAPR-ZKMPZPQNSA-N. The full InChI is InChI=1S/C26H34F3N3O2/c1-15(33)32-24(9-16-7-18(27)11-19(28)8-16)25(34)14-31-22-5-6-30-23-12-21(29)17(10-20(22)23)13-26(2,3)4/h7-8,10-12,22,24-25,30-31,34H,5-6,9,13-14H2,1-4H3,(H,32,33)/t22-,24-,25+/m0/s1.
What are the key properties of N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide?
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide has a molecular weight of 477.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-6-(2,2-dimethylpropyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]amino]-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 68539739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).