N-[3-(dioctylamino)propyl]prop-2-enamide

C22H44N2O — CID 54306964

IUPACN-[3-(dioctylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C22H44N2O/c1-4-7-9-11-13-15-19-24(20-16-14-12-10-8-5-2)21-17-18-23-22(25)6-3/h6H,3-5,7-21H2,1-2H3,(H,23,25)
InChIKeySIFAEGUZRHCFMY-UHFFFAOYSA-N
MW352.61 g/mol
LogP5.70
Rot. Bonds19

About N-[3-(dioctylamino)propyl]prop-2-enamide

N-[3-(dioctylamino)propyl]prop-2-enamide (PubChem CID 54306964) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is N-[3-(dioctylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(dioctylamino)propyl]prop-2-enamide
PubChem CID54306964
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC NameN-[3-(dioctylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C22H44N2O/c1-4-7-9-11-13-15-19-24(20-16-14-12-10-8-5-2)21-17-18-23-22(25)6-3/h6H,3-5,7-21H2,1-2H3,(H,23,25)
InChIKeySIFAEGUZRHCFMY-UHFFFAOYSA-N
XLogP5.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-heptadecylprop-2-enamide
CID 20727742
carbonic acid;N-hexylprop-2-enamide
CID 22445987
bis(N,N-dimethyldodecan-1-amine);N-propylprop-2-enamide;hydroiodide
CID 173363962
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
N-ethenyl-N-methylacetamide;N-octadecylprop-2-enamide
CID 138470318
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694

Frequently Asked Questions

What is the IUPAC name of N-[3-(dioctylamino)propyl]prop-2-enamide?
The IUPAC name of N-[3-(dioctylamino)propyl]prop-2-enamide (CID 54306964) is N-[3-(dioctylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(dioctylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(dioctylamino)propyl]prop-2-enamide is C=CC(=O)NCCCN(CCCCCCCC)CCCCCCCC.
What is the InChIKey of N-[3-(dioctylamino)propyl]prop-2-enamide?
The InChIKey is SIFAEGUZRHCFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O/c1-4-7-9-11-13-15-19-24(20-16-14-12-10-8-5-2)21-17-18-23-22(25)6-3/h6H,3-5,7-21H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(dioctylamino)propyl]prop-2-enamide?
N-[3-(dioctylamino)propyl]prop-2-enamide has a molecular weight of 352.61 g/mol, XLogP of 5.70, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dioctylamino)propyl]prop-2-enamide is sourced from PubChem (CID 54306964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).