N-hexyl-5-(3-iodopropanoylamino)pentanamide

C14H27IN2O2 — CID 130360979

IUPACN-hexyl-5-(3-iodopropanoylamino)pentanamide
SMILESCCCCCCNC(=O)CCCCNC(=O)CCI
InChIInChI=1S/C14H27IN2O2/c1-2-3-4-6-11-16-13(18)8-5-7-12-17-14(19)9-10-15/h2-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyADMINOUVWJUERH-UHFFFAOYSA-N
MW382.29 g/mol
LogP2.79
Rot. Bonds12

About N-hexyl-5-(3-iodopropanoylamino)pentanamide

N-hexyl-5-(3-iodopropanoylamino)pentanamide (PubChem CID 130360979) has the molecular formula C14H27IN2O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is N-hexyl-5-(3-iodopropanoylamino)pentanamide.

Molecular Properties

Compound NameN-hexyl-5-(3-iodopropanoylamino)pentanamide
PubChem CID130360979
Molecular FormulaC14H27IN2O2
Molecular Weight382.29 g/mol
Exact Mass382.11
IUPAC NameN-hexyl-5-(3-iodopropanoylamino)pentanamide
SMILESCCCCCCNC(=O)CCCCNC(=O)CCI
InChIInChI=1S/C14H27IN2O2/c1-2-3-4-6-11-16-13(18)8-5-7-12-17-14(19)9-10-15/h2-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyADMINOUVWJUERH-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 52.79
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-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-(3-iodopropanoylamino)pentanamide?
The IUPAC name of N-hexyl-5-(3-iodopropanoylamino)pentanamide (CID 130360979) is N-hexyl-5-(3-iodopropanoylamino)pentanamide.
What is the SMILES notation for N-hexyl-5-(3-iodopropanoylamino)pentanamide?
The canonical SMILES for N-hexyl-5-(3-iodopropanoylamino)pentanamide is CCCCCCNC(=O)CCCCNC(=O)CCI.
What is the InChIKey of N-hexyl-5-(3-iodopropanoylamino)pentanamide?
The InChIKey is ADMINOUVWJUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IN2O2/c1-2-3-4-6-11-16-13(18)8-5-7-12-17-14(19)9-10-15/h2-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-hexyl-5-(3-iodopropanoylamino)pentanamide?
N-hexyl-5-(3-iodopropanoylamino)pentanamide has a molecular weight of 382.29 g/mol, XLogP of 2.79, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-(3-iodopropanoylamino)pentanamide is sourced from PubChem (CID 130360979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).