2-acetamidoethyl iodomethyl carbonate

C6H10INO4 — CID 11748163

IUPAC2-acetamidoethyl iodomethyl carbonate
SMILESCC(=O)NCCOC(=O)OCI
InChIInChI=1S/C6H10INO4/c1-5(9)8-2-3-11-6(10)12-4-7/h2-4H2,1H3,(H,8,9)
InChIKeySQCYAFZUHXWFKW-UHFFFAOYSA-N
MW287.05 g/mol
LogP0.67
Rot. Bonds4

About 2-acetamidoethyl iodomethyl carbonate

2-acetamidoethyl iodomethyl carbonate (PubChem CID 11748163) has the molecular formula C6H10INO4 and a molecular weight of 287.05 g/mol. Its IUPAC name is 2-acetamidoethyl iodomethyl carbonate.

Molecular Properties

Compound Name2-acetamidoethyl iodomethyl carbonate
PubChem CID11748163
Molecular FormulaC6H10INO4
Molecular Weight287.05 g/mol
Exact Mass286.97
IUPAC Name2-acetamidoethyl iodomethyl carbonate
SMILESCC(=O)NCCOC(=O)OCI
InChIInChI=1S/C6H10INO4/c1-5(9)8-2-3-11-6(10)12-4-7/h2-4H2,1H3,(H,8,9)
InChIKeySQCYAFZUHXWFKW-UHFFFAOYSA-N
XLogP0.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.05
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-acetamidoethyl hydrogen carbonate
CID 150133482
2-acetamidoethyl propanoate
CID 54208768
2-acetamidoethyl 2-fluoroacetate
CID 45254008
2-acetamidoethyl 1-chloroethyl carbonate
CID 23019510
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
iodomethyl undecyl carbonate
CID 139557128
heptyl iodomethyl carbonate
CID 23449029
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077
N-[2-(2-oxopropoxy)ethyl]acetamide
CID 144871697

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl iodomethyl carbonate?
The IUPAC name of 2-acetamidoethyl iodomethyl carbonate (CID 11748163) is 2-acetamidoethyl iodomethyl carbonate.
What is the SMILES notation for 2-acetamidoethyl iodomethyl carbonate?
The canonical SMILES for 2-acetamidoethyl iodomethyl carbonate is CC(=O)NCCOC(=O)OCI.
What is the InChIKey of 2-acetamidoethyl iodomethyl carbonate?
The InChIKey is SQCYAFZUHXWFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO4/c1-5(9)8-2-3-11-6(10)12-4-7/h2-4H2,1H3,(H,8,9).
What are the key properties of 2-acetamidoethyl iodomethyl carbonate?
2-acetamidoethyl iodomethyl carbonate has a molecular weight of 287.05 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl iodomethyl carbonate is sourced from PubChem (CID 11748163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).