N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide

C18H36N2O — CID 123248308

IUPACN-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide
SMILESCCCCCCCC=CC(=O)N(CC)CCN(CC)CC
InChIInChI=1S/C18H36N2O/c1-5-9-10-11-12-13-14-15-18(21)20(8-4)17-16-19(6-2)7-3/h14-15H,5-13,16-17H2,1-4H3
InChIKeyADSQQKZRBIFMBE-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.09
Rot. Bonds13

About N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide

N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide (PubChem CID 123248308) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide
PubChem CID123248308
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide
SMILESCCCCCCCC=CC(=O)N(CC)CCN(CC)CC
InChIInChI=1S/C18H36N2O/c1-5-9-10-11-12-13-14-15-18(21)20(8-4)17-16-19(6-2)7-3/h14-15H,5-13,16-17H2,1-4H3
InChIKeyADSQQKZRBIFMBE-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
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-ethyl-N-propyldec-2-enamide
CID 123659477
N,N-dimethylpentadec-2-enamide
CID 123899063
N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
(E)-N-[3-(diethylamino)propyl]dec-2-enamide
CID 86694810
(E)-N,N-diethylheptadec-9-en-1-amine
CID 102116407
(E)-N,N-diethylheptadec-4-en-1-amine
CID 102116402
(E)-N,N-bis(oxiran-2-ylmethyl)dec-2-enamide
CID 88736405
3-[hexadec-2-enoyl(methyl)amino]propanoic acid
CID 139936776
N,N-bis[(2-methyloxiran-2-yl)methyl]nonadec-2-enamide
CID 88736763
(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
non-2-enoyl fluoride
CID 85320706
CID 173410537
CID 173410537

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide (CID 123248308) is N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide is CCCCCCCC=CC(=O)N(CC)CCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide?
The InChIKey is ADSQQKZRBIFMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-9-10-11-12-13-14-15-18(21)20(8-4)17-16-19(6-2)7-3/h14-15H,5-13,16-17H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide?
N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide has a molecular weight of 296.50 g/mol, XLogP of 4.09, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-ethyldec-2-enamide is sourced from PubChem (CID 123248308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).