N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide

C13H25IN2O2 — CID 167061555

IUPACN-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
SMILESCCCC(=O)NCCC(=O)NCCCCCCI
InChIInChI=1S/C13H25IN2O2/c1-2-7-12(17)16-11-8-13(18)15-10-6-4-3-5-9-14/h2-11H2,1H3,(H,15,18)(H,16,17)
InChIKeyIUGCATJWWCRKES-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.40
Rot. Bonds11

About N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide

N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide (PubChem CID 167061555) has the molecular formula C13H25IN2O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide.

Molecular Properties

Compound NameN-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
PubChem CID167061555
Molecular FormulaC13H25IN2O2
Molecular Weight368.26 g/mol
Exact Mass368.10
IUPAC NameN-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
SMILESCCCC(=O)NCCC(=O)NCCCCCCI
InChIInChI=1S/C13H25IN2O2/c1-2-7-12(17)16-11-8-13(18)15-10-6-4-3-5-9-14/h2-11H2,1H3,(H,15,18)(H,16,17)
InChIKeyIUGCATJWWCRKES-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
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-(6-iodohexyl)butanamide
CID 107848130
N-(3-iodopropyl)butanamide
CID 114504418
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-hexyl-5-(3-iodopropanoylamino)pentanamide
CID 130360979
16-(butanoylamino)hexadecanoic acid
CID 118711043
N-(4-acetamidobutyl)butanamide
CID 110417477
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-[5-[2-(5-acetamidopentyl)hydrazinyl]pentyl]butanamide
CID 57022282
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide?
The IUPAC name of N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide (CID 167061555) is N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide.
What is the SMILES notation for N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide?
The canonical SMILES for N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide is CCCC(=O)NCCC(=O)NCCCCCCI.
What is the InChIKey of N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide?
The InChIKey is IUGCATJWWCRKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IN2O2/c1-2-7-12(17)16-11-8-13(18)15-10-6-4-3-5-9-14/h2-11H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide?
N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide has a molecular weight of 368.26 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide is sourced from PubChem (CID 167061555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).