tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate

C23H32N2O3 — CID 18410258

IUPACtert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)CC(O)CC(N)c1ccccc1
InChIInChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)15-20(26)16-21(24)18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)
InChIKeyYYMFNENLTYWBPY-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.96
Rot. Bonds8

About tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate

tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate (PubChem CID 18410258) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate
PubChem CID18410258
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Nametert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)CC(O)CC(N)c1ccccc1
InChIInChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)15-20(26)16-21(24)18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)
InChIKeyYYMFNENLTYWBPY-UHFFFAOYSA-N
XLogP3.96
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-5-(benzylamino)-4-hydroxy-1-phenylpentan-2-yl]carbamate
CID 66832875
tert-butyl N-(5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate;2,3-dihydroxybutanedioic acid
CID 19068494
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 118431287
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
CID 69442567
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
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-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate (CID 18410258) is tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)CC(O)CC(N)c1ccccc1.
What is the InChIKey of tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate?
The InChIKey is YYMFNENLTYWBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)15-20(26)16-21(24)18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate?
tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate has a molecular weight of 384.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate is sourced from PubChem (CID 18410258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).