2,2-diiodo-N-(3-methoxypropyl)propanamide

C7H13I2NO2 — CID 170194646

IUPAC2,2-diiodo-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)(I)I
InChIInChI=1S/C7H13I2NO2/c1-7(8,9)6(11)10-4-3-5-12-2/h3-5H2,1-2H3,(H,10,11)
InChIKeyTZKYLALGTFINCR-UHFFFAOYSA-N
MW396.99 g/mol
LogP1.73
Rot. Bonds5

About 2,2-diiodo-N-(3-methoxypropyl)propanamide

2,2-diiodo-N-(3-methoxypropyl)propanamide (PubChem CID 170194646) has the molecular formula C7H13I2NO2 and a molecular weight of 396.99 g/mol. Its IUPAC name is 2,2-diiodo-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2,2-diiodo-N-(3-methoxypropyl)propanamide
PubChem CID170194646
Molecular FormulaC7H13I2NO2
Molecular Weight396.99 g/mol
Exact Mass396.90
IUPAC Name2,2-diiodo-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)(I)I
InChIInChI=1S/C7H13I2NO2/c1-7(8,9)6(11)10-4-3-5-12-2/h3-5H2,1-2H3,(H,10,11)
InChIKeyTZKYLALGTFINCR-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.99
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
CID 62834257
N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108957380
3-methoxypropylurea
CID 2064040
2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
CID 134590765
N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198021
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-(3-methoxypropylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116536707
N-(3-methoxypropyl)-3,3-dimethylpentanamide
CID 130272308
4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010

Frequently Asked Questions

What is the IUPAC name of 2,2-diiodo-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2,2-diiodo-N-(3-methoxypropyl)propanamide (CID 170194646) is 2,2-diiodo-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2,2-diiodo-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2,2-diiodo-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)(I)I.
What is the InChIKey of 2,2-diiodo-N-(3-methoxypropyl)propanamide?
The InChIKey is TZKYLALGTFINCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I2NO2/c1-7(8,9)6(11)10-4-3-5-12-2/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 2,2-diiodo-N-(3-methoxypropyl)propanamide?
2,2-diiodo-N-(3-methoxypropyl)propanamide has a molecular weight of 396.99 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diiodo-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 170194646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).