N-[8-(heptanoylamino)octyl]heptanamide

C22H44N2O2 — CID 3252783

IUPACN-[8-(heptanoylamino)octyl]heptanamide
SMILESCCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCC
InChIInChI=1S/C22H44N2O2/c1-3-5-7-13-17-21(25)23-19-15-11-9-10-12-16-20-24-22(26)18-14-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNYTSKNIYLORHMU-UHFFFAOYSA-N
MW368.61 g/mol
LogP5.50
Rot. Bonds19

About N-[8-(heptanoylamino)octyl]heptanamide

N-[8-(heptanoylamino)octyl]heptanamide (PubChem CID 3252783) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N-[8-(heptanoylamino)octyl]heptanamide.

Molecular Properties

Compound NameN-[8-(heptanoylamino)octyl]heptanamide
PubChem CID3252783
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC NameN-[8-(heptanoylamino)octyl]heptanamide
SMILESCCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCC
InChIInChI=1S/C22H44N2O2/c1-3-5-7-13-17-21(25)23-19-15-11-9-10-12-16-20-24-22(26)18-14-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNYTSKNIYLORHMU-UHFFFAOYSA-N
XLogP5.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.61
LogP ≤ 55.50
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

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
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N-[8-(heptanoylamino)octyl]heptanamide?
The IUPAC name of N-[8-(heptanoylamino)octyl]heptanamide (CID 3252783) is N-[8-(heptanoylamino)octyl]heptanamide.
What is the SMILES notation for N-[8-(heptanoylamino)octyl]heptanamide?
The canonical SMILES for N-[8-(heptanoylamino)octyl]heptanamide is CCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCC.
What is the InChIKey of N-[8-(heptanoylamino)octyl]heptanamide?
The InChIKey is NYTSKNIYLORHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-3-5-7-13-17-21(25)23-19-15-11-9-10-12-16-20-24-22(26)18-14-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[8-(heptanoylamino)octyl]heptanamide?
N-[8-(heptanoylamino)octyl]heptanamide has a molecular weight of 368.61 g/mol, XLogP of 5.50, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(heptanoylamino)octyl]heptanamide is sourced from PubChem (CID 3252783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).