N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide

C30H46N4O3 — CID 11505708

IUPACN-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)NCCCNCCCCNCCC(c1ccccc1)c1ccccc1)NO
InChIInChI=1S/C30H46N4O3/c35-29(18-9-1-2-10-19-30(36)34-37)33-24-13-23-31-21-11-12-22-32-25-20-28(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-8,14-17,28,31-32,37H,1-2,9-13,18-25H2,(H,33,35)(H,34,36)
InChIKeyVNCLVAFRMCWEMG-UHFFFAOYSA-N
MW510.72 g/mol
LogP4.52
Rot. Bonds21

About N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide

N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide (PubChem CID 11505708) has the molecular formula C30H46N4O3 and a molecular weight of 510.72 g/mol. Its IUPAC name is N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide
PubChem CID11505708
Molecular FormulaC30H46N4O3
Molecular Weight510.72 g/mol
Exact Mass510.36
IUPAC NameN-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)NCCCNCCCCNCCC(c1ccccc1)c1ccccc1)NO
InChIInChI=1S/C30H46N4O3/c35-29(18-9-1-2-10-19-30(36)34-37)33-24-13-23-31-21-11-12-22-32-25-20-28(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-8,14-17,28,31-32,37H,1-2,9-13,18-25H2,(H,33,35)(H,34,36)
InChIKeyVNCLVAFRMCWEMG-UHFFFAOYSA-N
XLogP4.52
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.72
LogP ≤ 54.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide (CID 11505708) is N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)NCCCNCCCCNCCC(c1ccccc1)c1ccccc1)NO.
What is the InChIKey of N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide?
The InChIKey is VNCLVAFRMCWEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N4O3/c35-29(18-9-1-2-10-19-30(36)34-37)33-24-13-23-31-21-11-12-22-32-25-20-28(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-8,14-17,28,31-32,37H,1-2,9-13,18-25H2,(H,33,35)(H,34,36).
What are the key properties of N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide?
N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide has a molecular weight of 510.72 g/mol, XLogP of 4.52, 21 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 11505708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).