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

C23H31NO2 — CID 57094161

IUPACtert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NO2/c1-23(2,3)26-22(25)24-21(18-20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,21H,10-11,14,17-18H2,1-3H3,(H,24,25)
InChIKeyCVSFXUAYADUZIS-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.54
Rot. Bonds8

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

tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate (PubChem CID 57094161) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
PubChem CID57094161
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Nametert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H31NO2/c1-23(2,3)26-22(25)24-21(18-20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,21H,10-11,14,17-18H2,1-3H3,(H,24,25)
InChIKeyCVSFXUAYADUZIS-UHFFFAOYSA-N
XLogP5.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl] methanesulfonate
CID 89037696
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-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] methanesulfonate
CID 90242861
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate (CID 57094161) is tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CCCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate?
The InChIKey is CVSFXUAYADUZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-23(2,3)26-22(25)24-21(18-20-15-8-5-9-16-20)17-11-10-14-19-12-6-4-7-13-19/h4-9,12-13,15-16,21H,10-11,14,17-18H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate?
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate has a molecular weight of 353.51 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate is sourced from PubChem (CID 57094161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).