N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide

C20H37N5O3 — CID 101205069

IUPACN-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
SMILESNCCCNCCCCNCCCNCCCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C20H37N5O3/c21-8-3-11-22-9-1-2-10-23-12-4-13-24-14-5-15-25-20(28)18-16-17(26)6-7-19(18)27/h6-7,16,22-24,26-27H,1-5,8-15,21H2,(H,25,28)
InChIKeyNLFAQPALVYDJMB-UHFFFAOYSA-N
MW395.55 g/mol
LogP0.51
Rot. Bonds17

About N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide

N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide (PubChem CID 101205069) has the molecular formula C20H37N5O3 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
PubChem CID101205069
Molecular FormulaC20H37N5O3
Molecular Weight395.55 g/mol
Exact Mass395.29
IUPAC NameN-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
SMILESNCCCNCCCCNCCCNCCCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C20H37N5O3/c21-8-3-11-22-9-1-2-10-23-12-4-13-24-14-5-15-25-20(28)18-16-17(26)6-7-19(18)27/h6-7,16,22-24,26-27H,1-5,8-15,21H2,(H,25,28)
InChIKeyNLFAQPALVYDJMB-UHFFFAOYSA-N
XLogP0.51
TPSA131.67 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 50.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
CID 101205073
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
CID 45479385
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
5-[[4-[4-(3-aminopropylamino)butylcarbamoyl]benzoyl]amino]-2-hydroxybenzoic acid
CID 78333493
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide (CID 101205069) is N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide is NCCCNCCCCNCCCNCCCNC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide?
The InChIKey is NLFAQPALVYDJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O3/c21-8-3-11-22-9-1-2-10-23-12-4-13-24-14-5-15-25-20(28)18-16-17(26)6-7-19(18)27/h6-7,16,22-24,26-27H,1-5,8-15,21H2,(H,25,28).
What are the key properties of N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide?
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide has a molecular weight of 395.55 g/mol, XLogP of 0.51, 17 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 101205069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).