3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide

C28H42N4O4 — CID 101370520

IUPAC3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
SMILESO=C(CCc1ccc(O)cc1)NCCCNCCCCNCCCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C28H42N4O4/c33-25-11-5-23(6-12-25)9-15-27(35)31-21-3-19-29-17-1-2-18-30-20-4-22-32-28(36)16-10-24-7-13-26(34)14-8-24/h5-8,11-14,29-30,33-34H,1-4,9-10,15-22H2,(H,31,35)(H,32,36)
InChIKeyZORNFZDYBRPMBS-UHFFFAOYSA-N
MW498.67 g/mol
LogP2.64
Rot. Bonds19

About 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide

3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide (PubChem CID 101370520) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
PubChem CID101370520
Molecular FormulaC28H42N4O4
Molecular Weight498.67 g/mol
Exact Mass498.32
IUPAC Name3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
SMILESO=C(CCc1ccc(O)cc1)NCCCNCCCCNCCCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C28H42N4O4/c33-25-11-5-23(6-12-25)9-15-27(35)31-21-3-19-29-17-1-2-18-30-20-4-22-32-28(36)16-10-24-7-13-26(34)14-8-24/h5-8,11-14,29-30,33-34H,1-4,9-10,15-22H2,(H,31,35)(H,32,36)
InChIKeyZORNFZDYBRPMBS-UHFFFAOYSA-N
XLogP2.64
TPSA122.72 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 52.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide with MolForge

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Related Compounds

5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
CID 130436786
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 56967019
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
CID 173196459

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide (CID 101370520) is 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide is O=C(CCc1ccc(O)cc1)NCCCNCCCCNCCCNC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide?
The InChIKey is ZORNFZDYBRPMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O4/c33-25-11-5-23(6-12-25)9-15-27(35)31-21-3-19-29-17-1-2-18-30-20-4-22-32-28(36)16-10-24-7-13-26(34)14-8-24/h5-8,11-14,29-30,33-34H,1-4,9-10,15-22H2,(H,31,35)(H,32,36).
What are the key properties of 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide?
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide has a molecular weight of 498.67 g/mol, XLogP of 2.64, 19 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide is sourced from PubChem (CID 101370520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).