N'-heptyl-N-hexylpentanediamide

C18H36N2O2 — CID 154688669

IUPACN'-heptyl-N-hexylpentanediamide
SMILESCCCCCCCNC(=O)CCCC(=O)NCCCCCC
InChIInChI=1S/C18H36N2O2/c1-3-5-7-9-11-16-20-18(22)14-12-13-17(21)19-15-10-8-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBBWPGDYTLRMFMX-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.94
Rot. Bonds15

About N'-heptyl-N-hexylpentanediamide

N'-heptyl-N-hexylpentanediamide (PubChem CID 154688669) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N'-heptyl-N-hexylpentanediamide.

Molecular Properties

Compound NameN'-heptyl-N-hexylpentanediamide
PubChem CID154688669
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN'-heptyl-N-hexylpentanediamide
SMILESCCCCCCCNC(=O)CCCC(=O)NCCCCCC
InChIInChI=1S/C18H36N2O2/c1-3-5-7-9-11-16-20-18(22)14-12-13-17(21)19-15-10-8-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBBWPGDYTLRMFMX-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
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-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N'-heptyl-N-hexylpentanediamide?
The IUPAC name of N'-heptyl-N-hexylpentanediamide (CID 154688669) is N'-heptyl-N-hexylpentanediamide.
What is the SMILES notation for N'-heptyl-N-hexylpentanediamide?
The canonical SMILES for N'-heptyl-N-hexylpentanediamide is CCCCCCCNC(=O)CCCC(=O)NCCCCCC.
What is the InChIKey of N'-heptyl-N-hexylpentanediamide?
The InChIKey is BBWPGDYTLRMFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-3-5-7-9-11-16-20-18(22)14-12-13-17(21)19-15-10-8-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-heptyl-N-hexylpentanediamide?
N'-heptyl-N-hexylpentanediamide has a molecular weight of 312.50 g/mol, XLogP of 3.94, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptyl-N-hexylpentanediamide is sourced from PubChem (CID 154688669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).