N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide

C9H18INO2 — CID 176423367

IUPACN-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(CCI)OC
InChIInChI=1S/C9H18INO2/c1-9(2,3)8(12)11-7(13-4)5-6-10/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyJWGABWVIPQFIAF-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.40
Rot. Bonds5

About N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide

N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide (PubChem CID 176423367) has the molecular formula C9H18INO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide
PubChem CID176423367
Molecular FormulaC9H18INO2
Molecular Weight299.15 g/mol
Exact Mass299.04
IUPAC NameN-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(CCI)OC
InChIInChI=1S/C9H18INO2/c1-9(2,3)8(12)11-7(13-4)5-6-10/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyJWGABWVIPQFIAF-UHFFFAOYSA-N
XLogP2.40
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-(1-methoxyethyl)-2,2-dimethylpropanamide
CID 71723059
N-(1-ethoxy-2-methylpropyl)propanamide
CID 134949251
N-(3-methoxypropyl)-2-methylpropanamide
CID 3483925
N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 4074454
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-(3-methoxy-2,2-dimethylpropyl)acetamide
CID 12450316
N-(1-methoxybutyl)propanamide
CID 13570116
2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60717725
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
N-(4-methoxybutyl)-2,2-dimethylpropanamide
CID 60769488
2-methyl-N-(1-propoxyethyl)propanamide
CID 85699786
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide (CID 176423367) is N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(CCI)OC.
What is the InChIKey of N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide?
The InChIKey is JWGABWVIPQFIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO2/c1-9(2,3)8(12)11-7(13-4)5-6-10/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide?
N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide has a molecular weight of 299.15 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-1-methoxypropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 176423367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).