[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid

C24H26N2O3 — CID 70146918

IUPAC[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c27-23(22(26-24(28)29)15-18-8-3-1-4-9-18)17-25-16-19-10-7-13-21(14-19)20-11-5-2-6-12-20/h1-14,22-23,25-27H,15-17H2,(H,28,29)/t22-,23+/m0/s1
InChIKeyNPHSSZPEMJURTB-XZOQPEGZSA-N
MW390.48 g/mol
LogP3.68
Rot. Bonds9

About [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid

[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid (PubChem CID 70146918) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid
PubChem CID70146918
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c27-23(22(26-24(28)29)15-18-8-3-1-4-9-18)17-25-16-19-10-7-13-21(14-19)20-11-5-2-6-12-20/h1-14,22-23,25-27H,15-17H2,(H,28,29)/t22-,23+/m0/s1
InChIKeyNPHSSZPEMJURTB-XZOQPEGZSA-N
XLogP3.68
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-fluorophenyl)methylamino]-3-hydroxybutan-2-yl]carbamic acid
CID 69445746
N-[(2S,3S)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]benzo[b][1]benzoxepine-5-carboxamide
CID 91499749
[4-(carboxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 19070976
[(2S,3R)-4-(furan-2-ylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70143190
[(2S,3S)-3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]-1-phenylbutan-2-yl]carbamic acid
CID 69439631
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]acetamide
CID 69417384
[(2S,3R)-3-hydroxy-1-phenyl-4-(1,3-thiazol-5-ylmethylamino)butan-2-yl]carbamic acid
CID 70146045
[(2S,3R)-3-hydroxy-1-phenyl-4-(4-phenylbutylamino)butan-2-yl]carbamic acid
CID 68608862
[(2S,3S)-4-(3,3-dimethylbutylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70144987
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-2-[2-(3-methoxyphenyl)-4-methylphenyl]acetamide
CID 139979453
[(2S,3R)-4-(hex-5-enylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 66606024
(2R)-2-amino-N-[(2S,3R)-3-hydroxy-4-[(3-methylphenyl)methylamino]-1-phenylbutan-2-yl]butanamide;ethane;yttrium
CID 161248668

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid?
The IUPAC name of [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid (CID 70146918) is [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid is O=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(-c2ccccc2)c1.
What is the InChIKey of [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid?
The InChIKey is NPHSSZPEMJURTB-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-23(22(26-24(28)29)15-18-8-3-1-4-9-18)17-25-16-19-10-7-13-21(14-19)20-11-5-2-6-12-20/h1-14,22-23,25-27H,15-17H2,(H,28,29)/t22-,23+/m0/s1.
What are the key properties of [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid?
[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid has a molecular weight of 390.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxy-1-phenyl-4-[(3-phenylphenyl)methylamino]butan-2-yl]carbamic acid is sourced from PubChem (CID 70146918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).