(Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide

C24H50N4O — CID 170854582

IUPAC(Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide
SMILESCCCCCCCCCCCCCCC/C=C\C(=O)NCCNCCNCCN
InChIInChI=1S/C24H50N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h16-17,26-27H,2-15,18-23,25H2,1H3,(H,28,29)/b17-16-
InChIKeyFLPKUPMDFWCZAN-MSUUIHNZSA-N
MW410.69 g/mol
LogP4.28
Rot. Bonds23

About (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide

(Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide (PubChem CID 170854582) has the molecular formula C24H50N4O and a molecular weight of 410.69 g/mol. Its IUPAC name is (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide
PubChem CID170854582
Molecular FormulaC24H50N4O
Molecular Weight410.69 g/mol
Exact Mass410.40
IUPAC Name(Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide
SMILESCCCCCCCCCCCCCCC/C=C\C(=O)NCCNCCNCCN
InChIInChI=1S/C24H50N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h16-17,26-27H,2-15,18-23,25H2,1H3,(H,28,29)/b17-16-
InChIKeyFLPKUPMDFWCZAN-MSUUIHNZSA-N
XLogP4.28
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.69
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide?
The IUPAC name of (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide (CID 170854582) is (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide.
What is the SMILES notation for (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide?
The canonical SMILES for (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide is CCCCCCCCCCCCCCC/C=C\C(=O)NCCNCCNCCN.
What is the InChIKey of (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide?
The InChIKey is FLPKUPMDFWCZAN-MSUUIHNZSA-N. The full InChI is InChI=1S/C24H50N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h16-17,26-27H,2-15,18-23,25H2,1H3,(H,28,29)/b17-16-.
What are the key properties of (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide?
(Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide has a molecular weight of 410.69 g/mol, XLogP of 4.28, 23 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadec-2-enamide is sourced from PubChem (CID 170854582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).