N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide

C24H33FN2O2 — CID 142874210

IUPACN-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide
SMILESCC[C@H](NC(C)=O)[C@H](O)CNCc1cc(CC(C)C)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H33FN2O2/c1-5-23(27-17(4)28)24(29)15-26-14-20-12-18(11-16(2)3)9-10-22(20)19-7-6-8-21(25)13-19/h6-10,12-13,16,23-24,26,29H,5,11,14-15H2,1-4H3,(H,27,28)/t23-,24+/m0/s1
InChIKeyHFVQGCDLGQHMEC-BJKOFHAPSA-N
MW400.54 g/mol
LogP4.06
Rot. Bonds10

About N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide

N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide (PubChem CID 142874210) has the molecular formula C24H33FN2O2 and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide
PubChem CID142874210
Molecular FormulaC24H33FN2O2
Molecular Weight400.54 g/mol
Exact Mass400.25
IUPAC NameN-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide
SMILESCC[C@H](NC(C)=O)[C@H](O)CNCc1cc(CC(C)C)ccc1-c1cccc(F)c1
InChIInChI=1S/C24H33FN2O2/c1-5-23(27-17(4)28)24(29)15-26-14-20-12-18(11-16(2)3)9-10-22(20)19-7-6-8-21(25)13-19/h6-10,12-13,16,23-24,26,29H,5,11,14-15H2,1-4H3,(H,27,28)/t23-,24+/m0/s1
InChIKeyHFVQGCDLGQHMEC-BJKOFHAPSA-N
XLogP4.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide;palladium;tetrakis(triphenylphosphane)
CID 173196993
N-[(2S,3R)-4-[(5-bromo-2-phenylphenyl)methylamino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 58909328
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(4-methylpiperazin-1-yl)-5-(2-methylpropyl)phenyl]methylamino]butan-2-yl]acetamide
CID 68538544
N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(3-methyl-1,2-thiazol-5-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
CID 11620528
tert-butyl N-[(3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]methylamino]butan-2-yl]carbamate
CID 157137598
N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-pyrrol-1-ylphenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
CID 11684462
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[5-[(2-methylpropan-2-yl)oxy]-2-phenylphenyl]methylamino]butan-2-yl]benzamide
CID 69297213
tert-butyl N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-fluorophenyl)methylamino]-3-hydroxybutan-2-yl]carbamate
CID 142662262
N-[4-(ethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 143203130
[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-fluorophenyl)methylamino]-3-hydroxybutan-2-yl]carbamic acid
CID 69445746
N-[4-[(3-ethylphenyl)methylamino]-1-(4-hexoxyphenyl)-3-hydroxybutan-2-yl]acetamide
CID 10310334
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]acetamide
CID 69417384

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide (CID 142874210) is N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide is CC[C@H](NC(C)=O)[C@H](O)CNCc1cc(CC(C)C)ccc1-c1cccc(F)c1.
What is the InChIKey of N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide?
The InChIKey is HFVQGCDLGQHMEC-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H33FN2O2/c1-5-23(27-17(4)28)24(29)15-26-14-20-12-18(11-16(2)3)9-10-22(20)19-7-6-8-21(25)13-19/h6-10,12-13,16,23-24,26,29H,5,11,14-15H2,1-4H3,(H,27,28)/t23-,24+/m0/s1.
What are the key properties of N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide?
N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide has a molecular weight of 400.54 g/mol, XLogP of 4.06, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-[[2-(3-fluorophenyl)-5-(2-methylpropyl)phenyl]methylamino]-2-hydroxypentan-3-yl]acetamide is sourced from PubChem (CID 142874210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).