N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide

C8H16INO2 — CID 155174619

IUPACN-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide
SMILESCC(C)(CCOCCI)NC=O
InChIInChI=1S/C8H16INO2/c1-8(2,10-7-11)3-5-12-6-4-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyJONFOTVJMFBYBS-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.35
Rot. Bonds7

About N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide

N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide (PubChem CID 155174619) has the molecular formula C8H16INO2 and a molecular weight of 285.13 g/mol. Its IUPAC name is N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide.

Molecular Properties

Compound NameN-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide
PubChem CID155174619
Molecular FormulaC8H16INO2
Molecular Weight285.13 g/mol
Exact Mass285.02
IUPAC NameN-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide
SMILESCC(C)(CCOCCI)NC=O
InChIInChI=1S/C8H16INO2/c1-8(2,10-7-11)3-5-12-6-4-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyJONFOTVJMFBYBS-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide?
The IUPAC name of N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide (CID 155174619) is N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide.
What is the SMILES notation for N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide?
The canonical SMILES for N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide is CC(C)(CCOCCI)NC=O.
What is the InChIKey of N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide?
The InChIKey is JONFOTVJMFBYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c1-8(2,10-7-11)3-5-12-6-4-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide?
N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide has a molecular weight of 285.13 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-iodoethoxy)-2-methylbutan-2-yl]formamide is sourced from PubChem (CID 155174619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).