tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate

C16H25NO3 — CID 90776674

IUPACtert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-15(19)17-12-14(18)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14,18H,7,10-12H2,1-3H3,(H,17,19)
InChIKeyKRGDVQQQOHUXNO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.89
Rot. Bonds6

About tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate

tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate (PubChem CID 90776674) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
PubChem CID90776674
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-16(2,3)20-15(19)17-12-14(18)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14,18H,7,10-12H2,1-3H3,(H,17,19)
InChIKeyKRGDVQQQOHUXNO-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 19963746
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate
CID 130376707
tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
CID 10891701
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-phenylpentanoate
CID 171550382
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate
CID 134235525
tert-butyl N-[2-(1-hydroxy-3-phenylpropoxy)ethyl]carbamate
CID 71219268
tert-butyl N-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butyl]amino]pentan-2-yl]carbamate
CID 130376681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate (CID 90776674) is tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate is CC(C)(C)OC(=O)NCC(O)CCCc1ccccc1.
What is the InChIKey of tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate?
The InChIKey is KRGDVQQQOHUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,3)20-15(19)17-12-14(18)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14,18H,7,10-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate?
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate is sourced from PubChem (CID 90776674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).