N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide

C20H37N5O2 — CID 101205073

IUPACN-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
SMILESNCCCNCCCNCCCCNCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H37N5O2/c21-10-3-13-24-15-4-14-22-11-1-2-12-23-16-5-17-25-20(27)18-6-8-19(26)9-7-18/h6-9,22-24,26H,1-5,10-17,21H2,(H,25,27)
InChIKeyGSNQJYZAWCRRJU-UHFFFAOYSA-N
MW379.55 g/mol
LogP0.80
Rot. Bonds17

About N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide

N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide (PubChem CID 101205073) has the molecular formula C20H37N5O2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
PubChem CID101205073
Molecular FormulaC20H37N5O2
Molecular Weight379.55 g/mol
Exact Mass379.29
IUPAC NameN-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
SMILESNCCCNCCCNCCCCNCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H37N5O2/c21-10-3-13-24-15-4-14-22-11-1-2-12-23-16-5-17-25-20(27)18-6-8-19(26)9-7-18/h6-9,22-24,26H,1-5,10-17,21H2,(H,25,27)
InChIKeyGSNQJYZAWCRRJU-UHFFFAOYSA-N
XLogP0.80
TPSA111.44 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 50.80
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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Related Compounds

N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
N-decyl-4-hydroxybenzamide
CID 15277871
5-[[4-[4-(3-aminopropylamino)butylcarbamoyl]benzoyl]amino]-2-hydroxybenzoic acid
CID 78333493
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
CID 45479385
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide
CID 23400721
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-[3-(3-aminopropylamino)propyl]-4-hydroxybenzamide;N'-(3-aminopropyl)propane-1,3-diamine;deuterio(tritio)borinic acid;ethanol;4-hydroxybenzoic acid;6-hydroxy-N-[3-[3-[(4-hydroxybenzoyl)amino]propylamino]propyl]naphthalene-2-carboxamide;6-hydroxynaphthalene-2-carboxylic acid;methane;dihydrate
CID 159767038
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
lithium 4-[(4-hydroxybenzoyl)amino]butanoate
CID 142769153

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide?
The IUPAC name of N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide (CID 101205073) is N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide?
The canonical SMILES for N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide is NCCCNCCCNCCCCNCCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide?
The InChIKey is GSNQJYZAWCRRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2/c21-10-3-13-24-15-4-14-22-11-1-2-12-23-16-5-17-25-20(27)18-6-8-19(26)9-7-18/h6-9,22-24,26H,1-5,10-17,21H2,(H,25,27).
What are the key properties of N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide?
N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide has a molecular weight of 379.55 g/mol, XLogP of 0.80, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide is sourced from PubChem (CID 101205073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).