N-(6-oxooctyl)-4-propoxybutanamide

C15H29NO3 — CID 170362710

IUPACN-(6-oxooctyl)-4-propoxybutanamide
SMILESCCCOCCCC(=O)NCCCCCC(=O)CC
InChIInChI=1S/C15H29NO3/c1-3-12-19-13-8-10-15(18)16-11-7-5-6-9-14(17)4-2/h3-13H2,1-2H3,(H,16,18)
InChIKeyJOGIQNRKUKMNPJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.85
Rot. Bonds13

About N-(6-oxooctyl)-4-propoxybutanamide

N-(6-oxooctyl)-4-propoxybutanamide (PubChem CID 170362710) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(6-oxooctyl)-4-propoxybutanamide.

Molecular Properties

Compound NameN-(6-oxooctyl)-4-propoxybutanamide
PubChem CID170362710
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-(6-oxooctyl)-4-propoxybutanamide
SMILESCCCOCCCC(=O)NCCCCCC(=O)CC
InChIInChI=1S/C15H29NO3/c1-3-12-19-13-8-10-15(18)16-11-7-5-6-9-14(17)4-2/h3-13H2,1-2H3,(H,16,18)
InChIKeyJOGIQNRKUKMNPJ-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
CID 163571556
N-(4-oxohexyl)octadecanamide
CID 90448629
N-(4-oxohexyl)pentadecanamide
CID 170421941
8-oxo-N-propyldecanamide
CID 156819961
7-(3-propoxypropanoylamino)heptanoic acid
CID 62688600
hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
CID 157129322
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
N-(8-oxotridecyl)hexanamide
CID 148531467
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303

Frequently Asked Questions

What is the IUPAC name of N-(6-oxooctyl)-4-propoxybutanamide?
The IUPAC name of N-(6-oxooctyl)-4-propoxybutanamide (CID 170362710) is N-(6-oxooctyl)-4-propoxybutanamide.
What is the SMILES notation for N-(6-oxooctyl)-4-propoxybutanamide?
The canonical SMILES for N-(6-oxooctyl)-4-propoxybutanamide is CCCOCCCC(=O)NCCCCCC(=O)CC.
What is the InChIKey of N-(6-oxooctyl)-4-propoxybutanamide?
The InChIKey is JOGIQNRKUKMNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-12-19-13-8-10-15(18)16-11-7-5-6-9-14(17)4-2/h3-13H2,1-2H3,(H,16,18).
What are the key properties of N-(6-oxooctyl)-4-propoxybutanamide?
N-(6-oxooctyl)-4-propoxybutanamide has a molecular weight of 271.40 g/mol, XLogP of 2.85, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxooctyl)-4-propoxybutanamide is sourced from PubChem (CID 170362710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).