tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate

C23H31NO3 — CID 19082099

IUPACtert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)CCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(17-25)15-14-20(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-13,20-21,25H,14-17H2,1-3H3,(H,24,26)
InChIKeyIREKOADWSXYBSP-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.68
Rot. Bonds8

About tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate

tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate (PubChem CID 19082099) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate
PubChem CID19082099
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Nametert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)CCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(17-25)15-14-20(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-13,20-21,25H,14-17H2,1-3H3,(H,24,26)
InChIKeyIREKOADWSXYBSP-UHFFFAOYSA-N
XLogP4.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-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 N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15929386
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
tert-butyl N-[(2S)-1-benzylsulfanyl-3-hydroxypropan-2-yl]carbamate
CID 51340400
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120
tert-butyl N-(1-chlorosulfonyl-3-phenylpropan-2-yl)carbamate
CID 85362370
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] methanesulfonate
CID 90242861

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate (CID 19082099) is tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CO)CCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate?
The InChIKey is IREKOADWSXYBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(17-25)15-14-20(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-13,20-21,25H,14-17H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate?
tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate has a molecular weight of 369.51 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate is sourced from PubChem (CID 19082099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).