[(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate

C25H36N2O3 — CID 69425993

IUPAC[(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H](Cc1ccccc1)[C@@H](O)CNC(C)(C)Cc1ccccc1
InChIInChI=1S/C25H36N2O3/c1-24(2,3)27-23(29)30-22(16-19-12-8-6-9-13-19)21(28)18-26-25(4,5)17-20-14-10-7-11-15-20/h6-15,21-22,26,28H,16-18H2,1-5H3,(H,27,29)/t21-,22-/m0/s1
InChIKeyCFVDEQYQYIJTGS-VXKWHMMOSA-N
MW412.57 g/mol
LogP4.09
Rot. Bonds9

About [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate

[(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate (PubChem CID 69425993) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate
PubChem CID69425993
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name[(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H](Cc1ccccc1)[C@@H](O)CNC(C)(C)Cc1ccccc1
InChIInChI=1S/C25H36N2O3/c1-24(2,3)27-23(29)30-22(16-19-12-8-6-9-13-19)21(28)18-26-25(4,5)17-20-14-10-7-11-15-20/h6-15,21-22,26,28H,16-18H2,1-5H3,(H,27,29)/t21-,22-/m0/s1
InChIKeyCFVDEQYQYIJTGS-VXKWHMMOSA-N
XLogP4.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]butanoic acid
CID 114264140
[(2S)-1-azido-3-phenylpropan-2-yl] N-tert-butylcarbamate
CID 175041010
[1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl] benzoate
CID 12794722
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylbutan-2-ylamino)-1-phenylbutan-2-yl]carbamate
CID 69429687
tert-butyl-[(2S,3R)-3-hydroxy-4-[[1-(3-methoxyphenyl)-2-methylpropan-2-yl]amino]-1-phenylbutan-2-yl]carbamic acid
CID 69360221
(2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol
CID 141092406
tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate
CID 91005637
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
benzyl N-[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11068208
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate (CID 69425993) is [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H](Cc1ccccc1)[C@@H](O)CNC(C)(C)Cc1ccccc1.
What is the InChIKey of [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate?
The InChIKey is CFVDEQYQYIJTGS-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-24(2,3)27-23(29)30-22(16-19-12-8-6-9-13-19)21(28)18-26-25(4,5)17-20-14-10-7-11-15-20/h6-15,21-22,26,28H,16-18H2,1-5H3,(H,27,29)/t21-,22-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate?
[(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate has a molecular weight of 412.57 g/mol, XLogP of 4.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 69425993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).