N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide

C24H46N6O3 — CID 90680702

IUPACN-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide
SMILESNCCCNCCCCNCCCNCCCNCCCNC(=O)Cc1ccc(O)cc1O
InChIInChI=1S/C24H46N6O3/c25-9-3-12-26-10-1-2-11-27-13-4-14-28-15-5-16-29-17-6-18-30-24(33)19-21-7-8-22(31)20-23(21)32/h7-8,20,26-29,31-32H,1-6,9-19,25H2,(H,30,33)
InChIKeyKCZQLUXTLDDORX-UHFFFAOYSA-N
MW466.67 g/mol
LogP0.41
Rot. Bonds22

About N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide

N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide (PubChem CID 90680702) has the molecular formula C24H46N6O3 and a molecular weight of 466.67 g/mol. Its IUPAC name is N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide
PubChem CID90680702
Molecular FormulaC24H46N6O3
Molecular Weight466.67 g/mol
Exact Mass466.36
IUPAC NameN-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide
SMILESNCCCNCCCCNCCCNCCCNCCCNC(=O)Cc1ccc(O)cc1O
InChIInChI=1S/C24H46N6O3/c25-9-3-12-26-10-1-2-11-27-13-4-14-28-15-5-16-29-17-6-18-30-24(33)19-21-7-8-22(31)20-23(21)32/h7-8,20,26-29,31-32H,1-6,9-19,25H2,(H,30,33)
InChIKeyKCZQLUXTLDDORX-UHFFFAOYSA-N
XLogP0.41
TPSA143.70 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.67
LogP ≤ 50.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide?
The IUPAC name of N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide (CID 90680702) is N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide?
The canonical SMILES for N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide is NCCCNCCCCNCCCNCCCNCCCNC(=O)Cc1ccc(O)cc1O.
What is the InChIKey of N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide?
The InChIKey is KCZQLUXTLDDORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N6O3/c25-9-3-12-26-10-1-2-11-27-13-4-14-28-15-5-16-29-17-6-18-30-24(33)19-21-7-8-22(31)20-23(21)32/h7-8,20,26-29,31-32H,1-6,9-19,25H2,(H,30,33).
What are the key properties of N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide?
N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide has a molecular weight of 466.67 g/mol, XLogP of 0.41, 22 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 90680702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).