N-hexadecylhexanamide

C22H45NO — CID 4953738

IUPACN-hexadecylhexanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCCCC
InChIInChI=1S/C22H45NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-23-22(24)20-18-6-4-2/h3-21H2,1-2H3,(H,23,24)
InChIKeyJWOJHTIDLZMPRZ-UHFFFAOYSA-N
MW339.61 g/mol
LogP7.16
Rot. Bonds19

About N-hexadecylhexanamide

N-hexadecylhexanamide (PubChem CID 4953738) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is N-hexadecylhexanamide.

Molecular Properties

Compound NameN-hexadecylhexanamide
PubChem CID4953738
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC NameN-hexadecylhexanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCCCC
InChIInChI=1S/C22H45NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-23-22(24)20-18-6-4-2/h3-21H2,1-2H3,(H,23,24)
InChIKeyJWOJHTIDLZMPRZ-UHFFFAOYSA-N
XLogP7.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of N-hexadecylhexanamide?
The IUPAC name of N-hexadecylhexanamide (CID 4953738) is N-hexadecylhexanamide.
What is the SMILES notation for N-hexadecylhexanamide?
The canonical SMILES for N-hexadecylhexanamide is CCCCCCCCCCCCCCCCNC(=O)CCCCC.
What is the InChIKey of N-hexadecylhexanamide?
The InChIKey is JWOJHTIDLZMPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-23-22(24)20-18-6-4-2/h3-21H2,1-2H3,(H,23,24).
What are the key properties of N-hexadecylhexanamide?
N-hexadecylhexanamide has a molecular weight of 339.61 g/mol, XLogP of 7.16, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecylhexanamide is sourced from PubChem (CID 4953738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).