tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate

C15H23NO4 — CID 178156317

IUPACtert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
SMILES[2H]C([2H])([2H])Oc1ccc(CCNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(17)16-9-8-11-6-7-12(18-4)13(10-11)19-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)/i4D3
InChIKeyZPXBIOWWYZWZGC-GKOSEXJESA-N
MW284.37 g/mol
LogP2.77
Rot. Bonds6

About tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate

tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate (PubChem CID 178156317) has the molecular formula C15H23NO4 and a molecular weight of 284.37 g/mol. Its IUPAC name is tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
PubChem CID178156317
Molecular FormulaC15H23NO4
Molecular Weight284.37 g/mol
Exact Mass284.18
IUPAC Nametert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
SMILES[2H]C([2H])([2H])Oc1ccc(CCNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(17)16-9-8-11-6-7-12(18-4)13(10-11)19-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)/i4D3
InChIKeyZPXBIOWWYZWZGC-GKOSEXJESA-N
XLogP2.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyloxy]propan-2-yl acetate
CID 21478970
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154
tert-butyl 3-[3-methoxy-4-(trideuteriomethoxy)phenyl]propyl carbonate
CID 58030518
tert-butyl 2-[2-(3,4-dimethoxyphenyl)ethylamino]acetate
CID 14036483
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
tert-butyl N-[3-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920282
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
tert-butyl N-[3-[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111044730
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate (CID 178156317) is tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate is [2H]C([2H])([2H])Oc1ccc(CCNC(=O)OC(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate?
The InChIKey is ZPXBIOWWYZWZGC-GKOSEXJESA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(17)16-9-8-11-6-7-12(18-4)13(10-11)19-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)/i4D3.
What are the key properties of tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate?
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate has a molecular weight of 284.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 178156317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).