N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide

C17H31NO5 — CID 58079400

IUPACN-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
SMILESCCC(=O)CCCCCC(=O)COCCOCCNC(=O)CC
InChIInChI=1S/C17H31NO5/c1-3-15(19)8-6-5-7-9-16(20)14-23-13-12-22-11-10-18-17(21)4-2/h3-14H2,1-2H3,(H,18,21)
InChIKeyATVXVEPDDMDTPD-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.04
Rot. Bonds16

About N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide

N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide (PubChem CID 58079400) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
PubChem CID58079400
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC NameN-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
SMILESCCC(=O)CCCCCC(=O)COCCOCCNC(=O)CC
InChIInChI=1S/C17H31NO5/c1-3-15(19)8-6-5-7-9-16(20)14-23-13-12-22-11-10-18-17(21)4-2/h3-14H2,1-2H3,(H,18,21)
InChIKeyATVXVEPDDMDTPD-UHFFFAOYSA-N
XLogP2.04
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
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-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide
CID 157294049
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
7-[2-(2-butoxyethoxy)ethoxy]heptan-3-one;N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide;N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide;N-ethyl-2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetamide;methane;bis(N-methyl-2-(2-propoxyethoxy)acetamide);tungsten
CID 159536331
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
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide (CID 58079400) is N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide is CCC(=O)CCCCCC(=O)COCCOCCNC(=O)CC.
What is the InChIKey of N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide?
The InChIKey is ATVXVEPDDMDTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO5/c1-3-15(19)8-6-5-7-9-16(20)14-23-13-12-22-11-10-18-17(21)4-2/h3-14H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide?
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.04, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 58079400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).