N-(3-iodopropyl)butanamide

C7H14INO — CID 114504418

IUPACN-(3-iodopropyl)butanamide
SMILESCCCC(=O)NCCCI
InChIInChI=1S/C7H14INO/c1-2-4-7(10)9-6-3-5-8/h2-6H2,1H3,(H,9,10)
InChIKeyHJPZXNQNZJFSMH-UHFFFAOYSA-N
MW255.10 g/mol
LogP1.73
Rot. Bonds5

About N-(3-iodopropyl)butanamide

N-(3-iodopropyl)butanamide (PubChem CID 114504418) has the molecular formula C7H14INO and a molecular weight of 255.10 g/mol. Its IUPAC name is N-(3-iodopropyl)butanamide.

Molecular Properties

Compound NameN-(3-iodopropyl)butanamide
PubChem CID114504418
Molecular FormulaC7H14INO
Molecular Weight255.10 g/mol
Exact Mass255.01
IUPAC NameN-(3-iodopropyl)butanamide
SMILESCCCC(=O)NCCCI
InChIInChI=1S/C7H14INO/c1-2-4-7(10)9-6-3-5-8/h2-6H2,1H3,(H,9,10)
InChIKeyHJPZXNQNZJFSMH-UHFFFAOYSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(6-iodohexyl)butanamide
CID 107848130
N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
CID 167061555
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
N-(4-acetamidobutyl)butanamide
CID 110417477
N-[3-(methylamino)propyl]butanamide
CID 43600791
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-hexyl-5-(3-iodopropanoylamino)pentanamide
CID 130360979
16-(butanoylamino)hexadecanoic acid
CID 118711043
4,4,4-trifluoro-N-(3-iodopropyl)butanamide
CID 114504286
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)butanamide?
The IUPAC name of N-(3-iodopropyl)butanamide (CID 114504418) is N-(3-iodopropyl)butanamide.
What is the SMILES notation for N-(3-iodopropyl)butanamide?
The canonical SMILES for N-(3-iodopropyl)butanamide is CCCC(=O)NCCCI.
What is the InChIKey of N-(3-iodopropyl)butanamide?
The InChIKey is HJPZXNQNZJFSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO/c1-2-4-7(10)9-6-3-5-8/h2-6H2,1H3,(H,9,10).
What are the key properties of N-(3-iodopropyl)butanamide?
N-(3-iodopropyl)butanamide has a molecular weight of 255.10 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)butanamide is sourced from PubChem (CID 114504418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).