tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate

C18H29NO3 — CID 130835886

IUPACtert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
SMILESCCCC[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H29NO3/c1-5-6-12-16(19-17(20)22-18(2,3)4)14-21-13-15-10-8-7-9-11-15/h7-11,16H,5-6,12-14H2,1-4H3,(H,19,20)/t16-/m1/s1
InChIKeyCGMIPCADVDJPAP-MRXNPFEDSA-N
MW307.43 g/mol
LogP4.29
Rot. Bonds8

About tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate

tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate (PubChem CID 130835886) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
PubChem CID130835886
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Nametert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
SMILESCCCC[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H29NO3/c1-5-6-12-16(19-17(20)22-18(2,3)4)14-21-13-15-10-8-7-9-11-15/h7-11,16H,5-6,12-14H2,1-4H3,(H,19,20)/t16-/m1/s1
InChIKeyCGMIPCADVDJPAP-MRXNPFEDSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
CID 102427058
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
CID 122389860
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyhexoxy]acetate
CID 86647244
tert-butyl N-[(5S)-5-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-phenylmethoxyhexyl]carbamate
CID 126567982
[(2R)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropoxy]-3-phenylmethoxypropan-2-yl] methanesulfonate
CID 11466597
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 14420168
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-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate
CID 132916154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate (CID 130835886) is tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate is CCCC[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate?
The InChIKey is CGMIPCADVDJPAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-6-12-16(19-17(20)22-18(2,3)4)14-21-13-15-10-8-7-9-11-15/h7-11,16H,5-6,12-14H2,1-4H3,(H,19,20)/t16-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate?
tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate has a molecular weight of 307.43 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate is sourced from PubChem (CID 130835886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).