methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate

C20H39NO9 — CID 175294176

IUPACmethyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
SMILESCCC(=O)NCCOCCOCCOCCOCCOCCOCCCC(=O)OC
InChIInChI=1S/C20H39NO9/c1-3-19(22)21-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-4-5-20(23)24-2/h3-18H2,1-2H3,(H,21,22)
InChIKeyNLDKJZBTIIVCFD-UHFFFAOYSA-N
MW437.53 g/mol
LogP0.57
Rot. Bonds23

About methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate

methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate (PubChem CID 175294176) has the molecular formula C20H39NO9 and a molecular weight of 437.53 g/mol. Its IUPAC name is methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
PubChem CID175294176
Molecular FormulaC20H39NO9
Molecular Weight437.53 g/mol
Exact Mass437.26
IUPAC Namemethyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
SMILESCCC(=O)NCCOCCOCCOCCOCCOCCOCCCC(=O)OC
InChIInChI=1S/C20H39NO9/c1-3-19(22)21-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-4-5-20(23)24-2/h3-18H2,1-2H3,(H,21,22)
InChIKeyNLDKJZBTIIVCFD-UHFFFAOYSA-N
XLogP0.57
TPSA110.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
N-[2-(4-hydroxybutoxy)ethyl]propanamide
CID 58493145
methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470261
methyl 4-[2-(methylamino)ethoxy]butanoate
CID 82353174
methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate
CID 58159450
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-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate?
The IUPAC name of methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate (CID 175294176) is methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate.
What is the SMILES notation for methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate?
The canonical SMILES for methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate is CCC(=O)NCCOCCOCCOCCOCCOCCOCCCC(=O)OC.
What is the InChIKey of methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate?
The InChIKey is NLDKJZBTIIVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO9/c1-3-19(22)21-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-4-5-20(23)24-2/h3-18H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate?
methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate has a molecular weight of 437.53 g/mol, XLogP of 0.57, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate is sourced from PubChem (CID 175294176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).