N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide

C24H51N5O2 — CID 22741546

IUPACN'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide
SMILESCCCCCCCCCC(=O)N(NNCCNCCN)C(=O)CCCCCCCCC
InChIInChI=1S/C24H51N5O2/c1-3-5-7-9-11-13-15-17-23(30)29(28-27-22-21-26-20-19-25)24(31)18-16-14-12-10-8-6-4-2/h26-28H,3-22,25H2,1-2H3
InChIKeyUSHBHJDRQIDQQJ-UHFFFAOYSA-N
MW441.71 g/mol
LogP4.18
Rot. Bonds23

About N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide

N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide (PubChem CID 22741546) has the molecular formula C24H51N5O2 and a molecular weight of 441.71 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide
PubChem CID22741546
Molecular FormulaC24H51N5O2
Molecular Weight441.71 g/mol
Exact Mass441.40
IUPAC NameN'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide
SMILESCCCCCCCCCC(=O)N(NNCCNCCN)C(=O)CCCCCCCCC
InChIInChI=1S/C24H51N5O2/c1-3-5-7-9-11-13-15-17-23(30)29(28-27-22-21-26-20-19-25)24(31)18-16-14-12-10-8-6-4-2/h26-28H,3-22,25H2,1-2H3
InChIKeyUSHBHJDRQIDQQJ-UHFFFAOYSA-N
XLogP4.18
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.71
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide?
The IUPAC name of N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide (CID 22741546) is N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide is CCCCCCCCCC(=O)N(NNCCNCCN)C(=O)CCCCCCCCC.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide?
The InChIKey is USHBHJDRQIDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N5O2/c1-3-5-7-9-11-13-15-17-23(30)29(28-27-22-21-26-20-19-25)24(31)18-16-14-12-10-8-6-4-2/h26-28H,3-22,25H2,1-2H3.
What are the key properties of N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide?
N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide has a molecular weight of 441.71 g/mol, XLogP of 4.18, 23 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethylamino]-N-decanoyldecanehydrazide is sourced from PubChem (CID 22741546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).