N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide

C8H16INO4 — CID 89066093

IUPACN-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide
SMILESCCCOCN(C=O)OCOCCI
InChIInChI=1S/C8H16INO4/c1-2-4-12-7-10(6-11)14-8-13-5-3-9/h6H,2-5,7-8H2,1H3
InChIKeyZPELXSIHGSVUBK-UHFFFAOYSA-N
MW317.12 g/mol
LogP1.17
Rot. Bonds10

About N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide

N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide (PubChem CID 89066093) has the molecular formula C8H16INO4 and a molecular weight of 317.12 g/mol. Its IUPAC name is N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide.

Molecular Properties

Compound NameN-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide
PubChem CID89066093
Molecular FormulaC8H16INO4
Molecular Weight317.12 g/mol
Exact Mass317.01
IUPAC NameN-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide
SMILESCCCOCN(C=O)OCOCCI
InChIInChI=1S/C8H16INO4/c1-2-4-12-7-10(6-11)14-8-13-5-3-9/h6H,2-5,7-8H2,1H3
InChIKeyZPELXSIHGSVUBK-UHFFFAOYSA-N
XLogP1.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-propoxy-N-propylformamide
CID 142120180
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
1-(iodomethylperoxy)propane
CID 122501010
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
5-(nonoxymethoxy)pent-4-enal
CID 162392763
[acetyl(propoxymethyl)amino] 2-iodoacetate
CID 88879070
3-heptoxypropanal
CID 59708059
1-(3-iodopropoxy)dodecane
CID 10021003
ethane-1,2-diol;formic acid;1-propoxypropane
CID 87831538
1,3-bis(propoxymethoxy)propane;methane
CID 164971527

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide?
The IUPAC name of N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide (CID 89066093) is N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide.
What is the SMILES notation for N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide?
The canonical SMILES for N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide is CCCOCN(C=O)OCOCCI.
What is the InChIKey of N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide?
The InChIKey is ZPELXSIHGSVUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO4/c1-2-4-12-7-10(6-11)14-8-13-5-3-9/h6H,2-5,7-8H2,1H3.
What are the key properties of N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide?
N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide has a molecular weight of 317.12 g/mol, XLogP of 1.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethoxymethoxy)-N-(propoxymethyl)formamide is sourced from PubChem (CID 89066093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).