N'-(3-butoxypropyl)-N-butylbutanediamide

C15H30N2O3 — CID 4602776

IUPACN'-(3-butoxypropyl)-N-butylbutanediamide
SMILESCCCCNC(=O)CCC(=O)NCCCOCCCC
InChIInChI=1S/C15H30N2O3/c1-3-5-10-16-14(18)8-9-15(19)17-11-7-13-20-12-6-4-2/h3-13H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWMJPSOPGIKLCRA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.01
Rot. Bonds13

About N'-(3-butoxypropyl)-N-butylbutanediamide

N'-(3-butoxypropyl)-N-butylbutanediamide (PubChem CID 4602776) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-(3-butoxypropyl)-N-butylbutanediamide.

Molecular Properties

Compound NameN'-(3-butoxypropyl)-N-butylbutanediamide
PubChem CID4602776
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN'-(3-butoxypropyl)-N-butylbutanediamide
SMILESCCCCNC(=O)CCC(=O)NCCCOCCCC
InChIInChI=1S/C15H30N2O3/c1-3-5-10-16-14(18)8-9-15(19)17-11-7-13-20-12-6-4-2/h3-13H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWMJPSOPGIKLCRA-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N'-(3-propoxypropyl)butanediamide
CID 153375512
5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 129222312
N-(3-butoxypropyl)-2-(propylamino)acetamide
CID 115574332
N-[3-(2-chloroethoxy)propyl]butanamide
CID 106306571
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533

Frequently Asked Questions

What is the IUPAC name of N'-(3-butoxypropyl)-N-butylbutanediamide?
The IUPAC name of N'-(3-butoxypropyl)-N-butylbutanediamide (CID 4602776) is N'-(3-butoxypropyl)-N-butylbutanediamide.
What is the SMILES notation for N'-(3-butoxypropyl)-N-butylbutanediamide?
The canonical SMILES for N'-(3-butoxypropyl)-N-butylbutanediamide is CCCCNC(=O)CCC(=O)NCCCOCCCC.
What is the InChIKey of N'-(3-butoxypropyl)-N-butylbutanediamide?
The InChIKey is WMJPSOPGIKLCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-3-5-10-16-14(18)8-9-15(19)17-11-7-13-20-12-6-4-2/h3-13H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3-butoxypropyl)-N-butylbutanediamide?
N'-(3-butoxypropyl)-N-butylbutanediamide has a molecular weight of 286.42 g/mol, XLogP of 2.01, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-butoxypropyl)-N-butylbutanediamide is sourced from PubChem (CID 4602776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).