N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide

C8H17IN2O2 — CID 138614680

IUPACN-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide
SMILESCC(C)C(O)NCCNC(=O)CI
InChIInChI=1S/C8H17IN2O2/c1-6(2)8(13)11-4-3-10-7(12)5-9/h6,8,11,13H,3-5H2,1-2H3,(H,10,12)
InChIKeyDJSARBLAIMNCLS-UHFFFAOYSA-N
MW300.14 g/mol
LogP0.10
Rot. Bonds6

About N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide

N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide (PubChem CID 138614680) has the molecular formula C8H17IN2O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide
PubChem CID138614680
Molecular FormulaC8H17IN2O2
Molecular Weight300.14 g/mol
Exact Mass300.03
IUPAC NameN-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide
SMILESCC(C)C(O)NCCNC(=O)CI
InChIInChI=1S/C8H17IN2O2/c1-6(2)8(13)11-4-3-10-7(12)5-9/h6,8,11,13H,3-5H2,1-2H3,(H,10,12)
InChIKeyDJSARBLAIMNCLS-UHFFFAOYSA-N
XLogP0.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 50.10
H-Bond Donors ≤ 53
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide?
The IUPAC name of N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide (CID 138614680) is N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide.
What is the SMILES notation for N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide?
The canonical SMILES for N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide is CC(C)C(O)NCCNC(=O)CI.
What is the InChIKey of N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide?
The InChIKey is DJSARBLAIMNCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN2O2/c1-6(2)8(13)11-4-3-10-7(12)5-9/h6,8,11,13H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide?
N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide has a molecular weight of 300.14 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide is sourced from PubChem (CID 138614680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).