tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate

C19H29NO4 — CID 165471088

IUPACtert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate
SMILESCC(COCc1ccccc1)CC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO4/c1-14(12-23-13-16-9-7-6-8-10-16)11-17(21)15(2)20-18(22)24-19(3,4)5/h6-10,14-15H,11-13H2,1-5H3,(H,20,22)/t14?,15-/m0/s1
InChIKeyRBJDZEGWLJMZDQ-LOACHALJSA-N
MW335.44 g/mol
LogP3.71
Rot. Bonds8

About tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate

tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate (PubChem CID 165471088) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate
PubChem CID165471088
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate
SMILESCC(COCc1ccccc1)CC(=O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO4/c1-14(12-23-13-16-9-7-6-8-10-16)11-17(21)15(2)20-18(22)24-19(3,4)5/h6-10,14-15H,11-13H2,1-5H3,(H,20,22)/t14?,15-/m0/s1
InChIKeyRBJDZEGWLJMZDQ-LOACHALJSA-N
XLogP3.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate
CID 165468645
(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471121
5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471083
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-methyl-5-phenylmethoxypentan-2-yl]carbamate
CID 10947274
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
tert-butyl N-[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 7410872
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
tert-butyl N-[(2R)-1-phenylmethoxybut-3-yn-2-yl]carbamate
CID 131215086

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate (CID 165471088) is tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate is CC(COCc1ccccc1)CC(=O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate?
The InChIKey is RBJDZEGWLJMZDQ-LOACHALJSA-N. The full InChI is InChI=1S/C19H29NO4/c1-14(12-23-13-16-9-7-6-8-10-16)11-17(21)15(2)20-18(22)24-19(3,4)5/h6-10,14-15H,11-13H2,1-5H3,(H,20,22)/t14?,15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate?
tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate has a molecular weight of 335.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate is sourced from PubChem (CID 165471088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).