N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide

C12H25N3O4 — CID 89252423

IUPACN-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide
SMILESNOCCCCNC(=O)CCCC(=O)NCCCO
InChIInChI=1S/C12H25N3O4/c13-19-10-2-1-7-14-11(17)5-3-6-12(18)15-8-4-9-16/h16H,1-10,13H2,(H,14,17)(H,15,18)
InChIKeyCGWVMPLTGGDPOG-UHFFFAOYSA-N
MW275.35 g/mol
LogP-0.56
Rot. Bonds12

About N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide

N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide (PubChem CID 89252423) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide.

Molecular Properties

Compound NameN-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide
PubChem CID89252423
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC NameN-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide
SMILESNOCCCCNC(=O)CCCC(=O)NCCCO
InChIInChI=1S/C12H25N3O4/c13-19-10-2-1-7-14-11(17)5-3-6-12(18)15-8-4-9-16/h16H,1-10,13H2,(H,14,17)(H,15,18)
InChIKeyCGWVMPLTGGDPOG-UHFFFAOYSA-N
XLogP-0.56
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-(3-aminooxypropyl)hexadecanamide
CID 88573336
3-[2-[2-(aminomethoxy)ethoxy]ethoxy]-N-(6-hydroxyhexyl)propanamide
CID 118439735
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(3-hydroxypropyl)docosanamide
CID 87200048
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-heptadecyl-4-hydroxybutanamide
CID 100934326
6-hydroxy-N-(3-methoxypropyl)hexanamide
CID 177359571
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
CID 170598419
CID 170598419
3-(3-aminooxypropylamino)propan-1-ol
CID 88883874

Frequently Asked Questions

What is the IUPAC name of N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide?
The IUPAC name of N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide (CID 89252423) is N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide.
What is the SMILES notation for N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide?
The canonical SMILES for N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide is NOCCCCNC(=O)CCCC(=O)NCCCO.
What is the InChIKey of N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide?
The InChIKey is CGWVMPLTGGDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c13-19-10-2-1-7-14-11(17)5-3-6-12(18)15-8-4-9-16/h16H,1-10,13H2,(H,14,17)(H,15,18).
What are the key properties of N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide?
N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide has a molecular weight of 275.35 g/mol, XLogP of -0.56, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminooxybutyl)-N'-(3-hydroxypropyl)pentanediamide is sourced from PubChem (CID 89252423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).