N-dodecylhexanamide

C18H37NO — CID 3362981

IUPACN-dodecylhexanamide
SMILESCCCCCCCCCCCCNC(=O)CCCCC
InChIInChI=1S/C18H37NO/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20)16-14-6-4-2/h3-17H2,1-2H3,(H,19,20)
InChIKeyFRXNAPZQPAEJOL-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.60
Rot. Bonds15

About N-dodecylhexanamide

N-dodecylhexanamide (PubChem CID 3362981) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-dodecylhexanamide.

Molecular Properties

Compound NameN-dodecylhexanamide
PubChem CID3362981
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-dodecylhexanamide
SMILESCCCCCCCCCCCCNC(=O)CCCCC
InChIInChI=1S/C18H37NO/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20)16-14-6-4-2/h3-17H2,1-2H3,(H,19,20)
InChIKeyFRXNAPZQPAEJOL-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.60
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,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-dodecylhexanamide?
The IUPAC name of N-dodecylhexanamide (CID 3362981) is N-dodecylhexanamide.
What is the SMILES notation for N-dodecylhexanamide?
The canonical SMILES for N-dodecylhexanamide is CCCCCCCCCCCCNC(=O)CCCCC.
What is the InChIKey of N-dodecylhexanamide?
The InChIKey is FRXNAPZQPAEJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-7-8-9-10-11-12-13-15-17-19-18(20)16-14-6-4-2/h3-17H2,1-2H3,(H,19,20).
What are the key properties of N-dodecylhexanamide?
N-dodecylhexanamide has a molecular weight of 283.50 g/mol, XLogP of 5.60, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylhexanamide is sourced from PubChem (CID 3362981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).