tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate

C26H38N2O3 — CID 57059484

IUPACtert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H38N2O3/c1-20(2)16-23(27-25(30)31-26(3,4)5)24(29)19-28(17-21-12-8-6-9-13-21)18-22-14-10-7-11-15-22/h6-15,20,23-24,29H,16-19H2,1-5H3,(H,27,30)/t23-,24+/m0/s1
InChIKeyYCYUDMJWEBJFLK-BJKOFHAPSA-N
MW426.60 g/mol
LogP4.99
Rot. Bonds10

About tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate

tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate (PubChem CID 57059484) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate
PubChem CID57059484
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC Nametert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H38N2O3/c1-20(2)16-23(27-25(30)31-26(3,4)5)24(29)19-28(17-21-12-8-6-9-13-21)18-22-14-10-7-11-15-22/h6-15,20,23-24,29H,16-19H2,1-5H3,(H,27,30)/t23-,24+/m0/s1
InChIKeyYCYUDMJWEBJFLK-BJKOFHAPSA-N
XLogP4.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate 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

tert-butyl 2-[benzyl-[(2R,3R)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]acetate
CID 163246300
tert-butyl N-[(2S,3S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 10813492
2-[benzyl-[(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexyl]amino]acetic acid
CID 163245957
ethyl 2-[benzyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]acetate
CID 175456215
[(2S)-4-[benzyl-[(3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-oxo-1-phenylbutan-2-yl]-tert-butylcarbamic acid
CID 57366709
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate
CID 130848205
tert-butyl N-[(4S,5S,7S)-7-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]-5-hydroxy-2,8-dimethylnonan-4-yl]carbamate
CID 142672217
(3R,4R)-3-hydroxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 12759308
[(2S,3S)-3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-methylamino]-1-phenylbutan-2-yl]carbamic acid
CID 70052352
ethyl (3S,4S)-3-hydroxy-4-[[(3S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-6-methylheptanoate
CID 11071063
2,2-dimethylpropyl N-[(2S,3R)-4-[benzyl-[(2R,3S)-3-(2,2-dimethylpropoxycarbonylamino)-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 10327048
tert-butyl N-[(4R,5S,6S)-4,5-dihydroxy-2-methyl-14-phenyltetradecan-6-yl]carbamate
CID 10048621

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate (CID 57059484) is tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate?
The InChIKey is YCYUDMJWEBJFLK-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-20(2)16-23(27-25(30)31-26(3,4)5)24(29)19-28(17-21-12-8-6-9-13-21)18-22-14-10-7-11-15-22/h6-15,20,23-24,29H,16-19H2,1-5H3,(H,27,30)/t23-,24+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate?
tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate has a molecular weight of 426.60 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate is sourced from PubChem (CID 57059484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).