3-(hexylamino)-N-tetradecylpropanamide

C23H48N2O — CID 58105395

IUPAC3-(hexylamino)-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)CCNCCCCCC
InChIInChI=1S/C23H48N2O/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-25-23(26)19-22-24-20-17-8-6-4-2/h24H,3-22H2,1-2H3,(H,25,26)
InChIKeyXHSRRWNADMUMPB-UHFFFAOYSA-N
MW368.65 g/mol
LogP6.36
Rot. Bonds21

About 3-(hexylamino)-N-tetradecylpropanamide

3-(hexylamino)-N-tetradecylpropanamide (PubChem CID 58105395) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is 3-(hexylamino)-N-tetradecylpropanamide.

Molecular Properties

Compound Name3-(hexylamino)-N-tetradecylpropanamide
PubChem CID58105395
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC Name3-(hexylamino)-N-tetradecylpropanamide
SMILESCCCCCCCCCCCCCCNC(=O)CCNCCCCCC
InChIInChI=1S/C23H48N2O/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-25-23(26)19-22-24-20-17-8-6-4-2/h24H,3-22H2,1-2H3,(H,25,26)
InChIKeyXHSRRWNADMUMPB-UHFFFAOYSA-N
XLogP6.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 56.36
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-dodecyl-3-(3-hydroxypropylamino)propanamide
CID 58164940
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of 3-(hexylamino)-N-tetradecylpropanamide?
The IUPAC name of 3-(hexylamino)-N-tetradecylpropanamide (CID 58105395) is 3-(hexylamino)-N-tetradecylpropanamide.
What is the SMILES notation for 3-(hexylamino)-N-tetradecylpropanamide?
The canonical SMILES for 3-(hexylamino)-N-tetradecylpropanamide is CCCCCCCCCCCCCCNC(=O)CCNCCCCCC.
What is the InChIKey of 3-(hexylamino)-N-tetradecylpropanamide?
The InChIKey is XHSRRWNADMUMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-3-5-7-9-10-11-12-13-14-15-16-18-21-25-23(26)19-22-24-20-17-8-6-4-2/h24H,3-22H2,1-2H3,(H,25,26).
What are the key properties of 3-(hexylamino)-N-tetradecylpropanamide?
3-(hexylamino)-N-tetradecylpropanamide has a molecular weight of 368.65 g/mol, XLogP of 6.36, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexylamino)-N-tetradecylpropanamide is sourced from PubChem (CID 58105395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).