tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate

C18H28N4O5 — CID 121478558

IUPACtert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCCOCCOCCN=[N+]=[N-])cc1
InChIInChI=1S/C18H28N4O5/c1-18(2,3)27-17(23)20-14-15-4-6-16(7-5-15)26-13-12-25-11-10-24-9-8-21-22-19/h4-7H,8-14H2,1-3H3,(H,20,23)
InChIKeyYTPBCNRIPVWAIN-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.43
Rot. Bonds12

About tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate

tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate (PubChem CID 121478558) has the molecular formula C18H28N4O5 and a molecular weight of 380.45 g/mol. Its IUPAC name is tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate
PubChem CID121478558
Molecular FormulaC18H28N4O5
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC Nametert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCCOCCOCCN=[N+]=[N-])cc1
InChIInChI=1S/C18H28N4O5/c1-18(2,3)27-17(23)20-14-15-4-6-16(7-5-15)26-13-12-25-11-10-24-9-8-21-22-19/h4-7H,8-14H2,1-3H3,(H,20,23)
InChIKeyYTPBCNRIPVWAIN-UHFFFAOYSA-N
XLogP3.43
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-(azidomethyl)phenyl]methyl]carbamate
CID 150442768
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 134827749
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
CID 91809469
tert-butyl N-[2-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695945
tert-butyl N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]carbamate
CID 122463054
tert-butyl N-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
CID 54483858
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
ethane;2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 144965448
benzyl N-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl]carbamate
CID 156874082
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate (CID 121478558) is tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(OCCOCCOCCN=[N+]=[N-])cc1.
What is the InChIKey of tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate?
The InChIKey is YTPBCNRIPVWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O5/c1-18(2,3)27-17(23)20-14-15-4-6-16(7-5-15)26-13-12-25-11-10-24-9-8-21-22-19/h4-7H,8-14H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate?
tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate has a molecular weight of 380.45 g/mol, XLogP of 3.43, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate is sourced from PubChem (CID 121478558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).