tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate

C11H22INO3 — CID 171066422

IUPACtert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCOCCI
InChIInChI=1S/C11H22INO3/c1-11(2,3)16-10(14)13-7-4-5-8-15-9-6-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyLFNFQGCJSQZWTD-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.74
Rot. Bonds7

About tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate

tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate (PubChem CID 171066422) has the molecular formula C11H22INO3 and a molecular weight of 343.21 g/mol. Its IUPAC name is tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
PubChem CID171066422
Molecular FormulaC11H22INO3
Molecular Weight343.21 g/mol
Exact Mass343.06
IUPAC Nametert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCOCCI
InChIInChI=1S/C11H22INO3/c1-11(2,3)16-10(14)13-7-4-5-8-15-9-6-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyLFNFQGCJSQZWTD-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
CID 87889000
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-[2-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]ethoxy]ethoxy]ethyl]carbamate
CID 159536089
4-[2-[2-[2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butylcarbamic acid
CID 155047976
tert-butyl N-[2-[[N-[4-(2-methoxyethoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111885517

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate (CID 171066422) is tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate is CC(C)(C)OC(=O)NCCCCOCCI.
What is the InChIKey of tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate?
The InChIKey is LFNFQGCJSQZWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22INO3/c1-11(2,3)16-10(14)13-7-4-5-8-15-9-6-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate?
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate has a molecular weight of 343.21 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate is sourced from PubChem (CID 171066422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).