N-(3-iodoprop-2-ynyl)octanamide

C11H18INO — CID 71381929

IUPACN-(3-iodoprop-2-ynyl)octanamide
SMILESCCCCCCCC(=O)NCC#CI
InChIInChI=1S/C11H18INO/c1-2-3-4-5-6-8-11(14)13-10-7-9-12/h2-6,8,10H2,1H3,(H,13,14)
InChIKeyYQMYDQZQAQKFGD-UHFFFAOYSA-N
MW307.18 g/mol
LogP2.86
Rot. Bonds7

About N-(3-iodoprop-2-ynyl)octanamide

N-(3-iodoprop-2-ynyl)octanamide (PubChem CID 71381929) has the molecular formula C11H18INO and a molecular weight of 307.18 g/mol. Its IUPAC name is N-(3-iodoprop-2-ynyl)octanamide.

Molecular Properties

Compound NameN-(3-iodoprop-2-ynyl)octanamide
PubChem CID71381929
Molecular FormulaC11H18INO
Molecular Weight307.18 g/mol
Exact Mass307.04
IUPAC NameN-(3-iodoprop-2-ynyl)octanamide
SMILESCCCCCCCC(=O)NCC#CI
InChIInChI=1S/C11H18INO/c1-2-3-4-5-6-8-11(14)13-10-7-9-12/h2-6,8,10H2,1H3,(H,13,14)
InChIKeyYQMYDQZQAQKFGD-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 62399737
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N-ethyltridecanamide
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N-[(octadecanoylamino)methyl]tetracosanamide
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N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-(hydroxymethyl)henicosanamide
CID 102116485
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
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CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-(3-iodoprop-2-ynyl)octanamide?
The IUPAC name of N-(3-iodoprop-2-ynyl)octanamide (CID 71381929) is N-(3-iodoprop-2-ynyl)octanamide.
What is the SMILES notation for N-(3-iodoprop-2-ynyl)octanamide?
The canonical SMILES for N-(3-iodoprop-2-ynyl)octanamide is CCCCCCCC(=O)NCC#CI.
What is the InChIKey of N-(3-iodoprop-2-ynyl)octanamide?
The InChIKey is YQMYDQZQAQKFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18INO/c1-2-3-4-5-6-8-11(14)13-10-7-9-12/h2-6,8,10H2,1H3,(H,13,14).
What are the key properties of N-(3-iodoprop-2-ynyl)octanamide?
N-(3-iodoprop-2-ynyl)octanamide has a molecular weight of 307.18 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodoprop-2-ynyl)octanamide is sourced from PubChem (CID 71381929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).