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

C18H32N4O3 — CID 14622108

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide
SMILESNCCCNCCCCNCCCNC(=O)Cc1ccc(O)cc1O
InChIInChI=1S/C18H32N4O3/c19-7-3-10-20-8-1-2-9-21-11-4-12-22-18(25)13-15-5-6-16(23)14-17(15)24/h5-6,14,20-21,23-24H,1-4,7-13,19H2,(H,22,25)
InChIKeyPVFGENJPHSVYJR-UHFFFAOYSA-N
MW352.48 g/mol
LogP0.45
Rot. Bonds14

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

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide (PubChem CID 14622108) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide
PubChem CID14622108
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide
SMILESNCCCNCCCCNCCCNC(=O)Cc1ccc(O)cc1O
InChIInChI=1S/C18H32N4O3/c19-7-3-10-20-8-1-2-9-21-11-4-12-22-18(25)13-15-5-6-16(23)14-17(15)24/h5-6,14,20-21,23-24H,1-4,7-13,19H2,(H,22,25)
InChIKeyPVFGENJPHSVYJR-UHFFFAOYSA-N
XLogP0.45
TPSA119.64 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 50.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide (CID 14622108) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide is NCCCNCCCCNCCCNC(=O)Cc1ccc(O)cc1O.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide?
The InChIKey is PVFGENJPHSVYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c19-7-3-10-20-8-1-2-9-21-11-4-12-22-18(25)13-15-5-6-16(23)14-17(15)24/h5-6,14,20-21,23-24H,1-4,7-13,19H2,(H,22,25).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 0.45, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(2,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 14622108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).