(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide

C23H43N3O2 — CID 102116540

IUPAC(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
SMILESCCCCC/C=C/C(=O)NCCCN(C)CCCNC(=O)/C=C/CCCCC
InChIInChI=1S/C23H43N3O2/c1-4-6-8-10-12-16-22(27)24-18-14-20-26(3)21-15-19-25-23(28)17-13-11-9-7-5-2/h12-13,16-17H,4-11,14-15,18-21H2,1-3H3,(H,24,27)(H,25,28)/b16-12+,17-13+
InChIKeyJPMMRCZGWKRSKC-UNZYHPAISA-N
MW393.62 g/mol
LogP4.20
Rot. Bonds18

About (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide

(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide (PubChem CID 102116540) has the molecular formula C23H43N3O2 and a molecular weight of 393.62 g/mol. Its IUPAC name is (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
PubChem CID102116540
Molecular FormulaC23H43N3O2
Molecular Weight393.62 g/mol
Exact Mass393.34
IUPAC Name(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
SMILESCCCCC/C=C/C(=O)NCCCN(C)CCCNC(=O)/C=C/CCCCC
InChIInChI=1S/C23H43N3O2/c1-4-6-8-10-12-16-22(27)24-18-14-20-26(3)21-15-19-25-23(28)17-13-11-9-7-5-2/h12-13,16-17H,4-11,14-15,18-21H2,1-3H3,(H,24,27)(H,25,28)/b16-12+,17-13+
InChIKeyJPMMRCZGWKRSKC-UNZYHPAISA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide with MolForge

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Related Compounds

(E)-N-butyldec-2-enamide
CID 160628271
(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 101285798
(E)-N-[3-(diethylamino)propyl]dec-2-enamide
CID 86694810
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
3-[[(E)-oct-2-enoyl]amino]propane-1-sulfonic acid
CID 101283798
(Z)-N-[4-[methyl-[7-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]heptyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 172726509
N-[3-[3-acetamidopropyl(methyl)amino]propyl]octadec-9-enamide
CID 154225120
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide?
The IUPAC name of (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide (CID 102116540) is (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide.
What is the SMILES notation for (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide?
The canonical SMILES for (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide is CCCCC/C=C/C(=O)NCCCN(C)CCCNC(=O)/C=C/CCCCC.
What is the InChIKey of (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide?
The InChIKey is JPMMRCZGWKRSKC-UNZYHPAISA-N. The full InChI is InChI=1S/C23H43N3O2/c1-4-6-8-10-12-16-22(27)24-18-14-20-26(3)21-15-19-25-23(28)17-13-11-9-7-5-2/h12-13,16-17H,4-11,14-15,18-21H2,1-3H3,(H,24,27)(H,25,28)/b16-12+,17-13+.
What are the key properties of (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide?
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide has a molecular weight of 393.62 g/mol, XLogP of 4.20, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide is sourced from PubChem (CID 102116540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).