(E)-N-[3-(diethylamino)propyl]dec-2-enamide

C17H34N2O — CID 86694810

IUPAC(E)-N-[3-(diethylamino)propyl]dec-2-enamide
SMILESCCCCCCC/C=C/C(=O)NCCCN(CC)CC
InChIInChI=1S/C17H34N2O/c1-4-7-8-9-10-11-12-14-17(20)18-15-13-16-19(5-2)6-3/h12,14H,4-11,13,15-16H2,1-3H3,(H,18,20)/b14-12+
InChIKeyXZGCNMUPSPUBJM-WYMLVPIESA-N
MW282.47 g/mol
LogP3.75
Rot. Bonds13

About (E)-N-[3-(diethylamino)propyl]dec-2-enamide

(E)-N-[3-(diethylamino)propyl]dec-2-enamide (PubChem CID 86694810) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (E)-N-[3-(diethylamino)propyl]dec-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(diethylamino)propyl]dec-2-enamide
PubChem CID86694810
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(E)-N-[3-(diethylamino)propyl]dec-2-enamide
SMILESCCCCCCC/C=C/C(=O)NCCCN(CC)CC
InChIInChI=1S/C17H34N2O/c1-4-7-8-9-10-11-12-14-17(20)18-15-13-16-19(5-2)6-3/h12,14H,4-11,13,15-16H2,1-3H3,(H,18,20)/b14-12+
InChIKeyXZGCNMUPSPUBJM-WYMLVPIESA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.75
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'}

Analyze (E)-N-[3-(diethylamino)propyl]dec-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 101285798
(E)-N-butyldec-2-enamide
CID 160628271
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
4-[[(E)-dodec-2-enoyl]amino]butane-1-sulfonic acid
CID 101284524
N-[5-(diethylamino)pentyl]but-2-enamide
CID 91596429
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
3-[[(E)-oct-2-enoyl]amino]propane-1-sulfonic acid
CID 101283798
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(diethylamino)propyl]dec-2-enamide?
The IUPAC name of (E)-N-[3-(diethylamino)propyl]dec-2-enamide (CID 86694810) is (E)-N-[3-(diethylamino)propyl]dec-2-enamide.
What is the SMILES notation for (E)-N-[3-(diethylamino)propyl]dec-2-enamide?
The canonical SMILES for (E)-N-[3-(diethylamino)propyl]dec-2-enamide is CCCCCCC/C=C/C(=O)NCCCN(CC)CC.
What is the InChIKey of (E)-N-[3-(diethylamino)propyl]dec-2-enamide?
The InChIKey is XZGCNMUPSPUBJM-WYMLVPIESA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-7-8-9-10-11-12-14-17(20)18-15-13-16-19(5-2)6-3/h12,14H,4-11,13,15-16H2,1-3H3,(H,18,20)/b14-12+.
What are the key properties of (E)-N-[3-(diethylamino)propyl]dec-2-enamide?
(E)-N-[3-(diethylamino)propyl]dec-2-enamide has a molecular weight of 282.47 g/mol, XLogP of 3.75, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(diethylamino)propyl]dec-2-enamide is sourced from PubChem (CID 86694810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).