(2R)-4-iodo-2-propan-2-ylpentanamide

C8H16INO — CID 89289820

IUPAC(2R)-4-iodo-2-propan-2-ylpentanamide
SMILESCC(I)CC(C(N)=O)C(C)C
InChIInChI=1S/C8H16INO/c1-5(2)7(8(10)11)4-6(3)9/h5-7H,4H2,1-3H3,(H2,10,11)
InChIKeySDXHTVDDZWNDEH-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.96
Rot. Bonds4

About (2R)-4-iodo-2-propan-2-ylpentanamide

(2R)-4-iodo-2-propan-2-ylpentanamide (PubChem CID 89289820) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is (2R)-4-iodo-2-propan-2-ylpentanamide.

Molecular Properties

Compound Name(2R)-4-iodo-2-propan-2-ylpentanamide
PubChem CID89289820
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name(2R)-4-iodo-2-propan-2-ylpentanamide
SMILESCC(I)CC(C(N)=O)C(C)C
InChIInChI=1S/C8H16INO/c1-5(2)7(8(10)11)4-6(3)9/h5-7H,4H2,1-3H3,(H2,10,11)
InChIKeySDXHTVDDZWNDEH-UHFFFAOYSA-N
XLogP1.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2R)-4-iodo-2-propan-2-ylpentanamide?
The IUPAC name of (2R)-4-iodo-2-propan-2-ylpentanamide (CID 89289820) is (2R)-4-iodo-2-propan-2-ylpentanamide.
What is the SMILES notation for (2R)-4-iodo-2-propan-2-ylpentanamide?
The canonical SMILES for (2R)-4-iodo-2-propan-2-ylpentanamide is CC(I)CC(C(N)=O)C(C)C.
What is the InChIKey of (2R)-4-iodo-2-propan-2-ylpentanamide?
The InChIKey is SDXHTVDDZWNDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-5(2)7(8(10)11)4-6(3)9/h5-7H,4H2,1-3H3,(H2,10,11).
What are the key properties of (2R)-4-iodo-2-propan-2-ylpentanamide?
(2R)-4-iodo-2-propan-2-ylpentanamide has a molecular weight of 269.13 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-iodo-2-propan-2-ylpentanamide is sourced from PubChem (CID 89289820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).