tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate

C23H31NO3 — CID 19963746

IUPACtert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC(O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(19-14-8-5-9-15-19)17-20(25)16-10-13-18-11-6-4-7-12-18/h4-9,11-12,14-15,20-21,25H,10,13,16-17H2,1-3H3,(H,24,26)
InChIKeyVDPGBDQNUGEREZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.03
Rot. Bonds8

About tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate

tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate (PubChem CID 19963746) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
PubChem CID19963746
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Nametert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC(O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(19-14-8-5-9-15-19)17-20(25)16-10-13-18-11-6-4-7-12-18/h4-9,11-12,14-15,20-21,25H,10,13,16-17H2,1-3H3,(H,24,26)
InChIKeyVDPGBDQNUGEREZ-UHFFFAOYSA-N
XLogP5.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[(1S,3S)-3-hydroxy-1-phenylhex-5-enyl]carbamate
CID 102420533
tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
CID 10891701
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
pyrimidin-5-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 139888213
pyridin-3-ylmethyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 23354491
tert-butyl N-[(E,1S,3S)-3-hydroxy-7-oxo-1,7-diphenylhept-5-enyl]carbamate
CID 102420534
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-2-(phenylmethoxycarbonylamino)butanoic acid
CID 143223924

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate (CID 19963746) is tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate is CC(C)(C)OC(=O)NC(CC(O)CCCc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
The InChIKey is VDPGBDQNUGEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-23(2,3)27-22(26)24-21(19-14-8-5-9-15-19)17-20(25)16-10-13-18-11-6-4-7-12-18/h4-9,11-12,14-15,20-21,25H,10,13,16-17H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate?
tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate has a molecular weight of 369.51 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate is sourced from PubChem (CID 19963746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).