tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate

C14H21NO3 — CID 155749556

IUPACtert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate
SMILES[2H]C([2H])([2H])Oc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10(15-13(16)18-14(2,3)4)11-7-6-8-12(9-11)17-5/h6-10H,1-5H3,(H,15,16)/t10-/m1/s1/i5D3
InChIKeyIFTUPAMJYJDJFH-TUUHCPJJSA-N
MW254.34 g/mol
LogP3.28
Rot. Bonds4

About tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate

tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate (PubChem CID 155749556) has the molecular formula C14H21NO3 and a molecular weight of 254.34 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate
PubChem CID155749556
Molecular FormulaC14H21NO3
Molecular Weight254.34 g/mol
Exact Mass254.17
IUPAC Nametert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate
SMILES[2H]C([2H])([2H])Oc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10(15-13(16)18-14(2,3)4)11-7-6-8-12(9-11)17-5/h6-10H,1-5H3,(H,15,16)/t10-/m1/s1/i5D3
InChIKeyIFTUPAMJYJDJFH-TUUHCPJJSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 70799961
methyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
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tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 72737084
tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103821967
(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7010245
tert-butyl N-[1-[3-[(Z)-C-chloro-N-hydroxycarbonimidoyl]phenyl]ethyl]carbamate
CID 58070451

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate (CID 155749556) is tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate is [2H]C([2H])([2H])Oc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate?
The InChIKey is IFTUPAMJYJDJFH-TUUHCPJJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15-13(16)18-14(2,3)4)11-7-6-8-12(9-11)17-5/h6-10H,1-5H3,(H,15,16)/t10-/m1/s1/i5D3.
What are the key properties of tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate has a molecular weight of 254.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[3-(trideuteriomethoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 155749556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).