N-(4-iodobutyl)cyclooctanecarboxamide

C13H24INO — CID 106846142

IUPACN-(4-iodobutyl)cyclooctanecarboxamide
SMILESO=C(NCCCCI)C1CCCCCCC1
InChIInChI=1S/C13H24INO/c14-10-6-7-11-15-13(16)12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,15,16)
InChIKeyZMJIQYJMGNQOIN-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.68
Rot. Bonds5

About N-(4-iodobutyl)cyclooctanecarboxamide

N-(4-iodobutyl)cyclooctanecarboxamide (PubChem CID 106846142) has the molecular formula C13H24INO and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(4-iodobutyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(4-iodobutyl)cyclooctanecarboxamide
PubChem CID106846142
Molecular FormulaC13H24INO
Molecular Weight337.25 g/mol
Exact Mass337.09
IUPAC NameN-(4-iodobutyl)cyclooctanecarboxamide
SMILESO=C(NCCCCI)C1CCCCCCC1
InChIInChI=1S/C13H24INO/c14-10-6-7-11-15-13(16)12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,15,16)
InChIKeyZMJIQYJMGNQOIN-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.68
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-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
N-(6-iodohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848037
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827

Frequently Asked Questions

What is the IUPAC name of N-(4-iodobutyl)cyclooctanecarboxamide?
The IUPAC name of N-(4-iodobutyl)cyclooctanecarboxamide (CID 106846142) is N-(4-iodobutyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(4-iodobutyl)cyclooctanecarboxamide?
The canonical SMILES for N-(4-iodobutyl)cyclooctanecarboxamide is O=C(NCCCCI)C1CCCCCCC1.
What is the InChIKey of N-(4-iodobutyl)cyclooctanecarboxamide?
The InChIKey is ZMJIQYJMGNQOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24INO/c14-10-6-7-11-15-13(16)12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,15,16).
What are the key properties of N-(4-iodobutyl)cyclooctanecarboxamide?
N-(4-iodobutyl)cyclooctanecarboxamide has a molecular weight of 337.25 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodobutyl)cyclooctanecarboxamide is sourced from PubChem (CID 106846142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).