tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate

C16H25NO2 — CID 174720496

IUPACtert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
SMILESC[C@@H](CCCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-13(17-15(18)19-16(2,3)4)9-8-12-14-10-6-5-7-11-14/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyDHWYWCYLYXRMFQ-ZDUSSCGKSA-N
MW263.38 g/mol
LogP3.92
Rot. Bonds5

About tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate

tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate (PubChem CID 174720496) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
PubChem CID174720496
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
SMILESC[C@@H](CCCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-13(17-15(18)19-16(2,3)4)9-8-12-14-10-6-5-7-11-14/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,17,18)/t13-/m0/s1
InChIKeyDHWYWCYLYXRMFQ-ZDUSSCGKSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 19963746
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
tert-butyl N-[1-(hydroxyamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 74947129
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
tert-butyl N-[(2S)-1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 90371301

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate (CID 174720496) is tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate is C[C@@H](CCCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate?
The InChIKey is DHWYWCYLYXRMFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(17-15(18)19-16(2,3)4)9-8-12-14-10-6-5-7-11-14/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,17,18)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate has a molecular weight of 263.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate is sourced from PubChem (CID 174720496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).