ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide

C20H40N2O6 — CID 171833589

IUPACethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCC.CCC(=O)NCCOCCOCCOCCC(=O)N1CCC(OC)CC1
InChIInChI=1S/C18H34N2O6.C2H6/c1-3-17(21)19-7-11-25-13-15-26-14-12-24-10-6-18(22)20-8-4-16(23-2)5-9-20;1-2/h16H,3-15H2,1-2H3,(H,19,21);1-2H3
InChIKeySSCMHENRJASQAG-UHFFFAOYSA-N
MW404.55 g/mol
LogP1.62
Rot. Bonds14

About ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide

ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 171833589) has the molecular formula C20H40N2O6 and a molecular weight of 404.55 g/mol. Its IUPAC name is ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Nameethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID171833589
Molecular FormulaC20H40N2O6
Molecular Weight404.55 g/mol
Exact Mass404.29
IUPAC Nameethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCC.CCC(=O)NCCOCCOCCOCCC(=O)N1CCC(OC)CC1
InChIInChI=1S/C18H34N2O6.C2H6/c1-3-17(21)19-7-11-25-13-15-26-14-12-24-10-6-18(22)20-8-4-16(23-2)5-9-20;1-2/h16H,3-15H2,1-2H3,(H,19,21);1-2H3
InChIKeySSCMHENRJASQAG-UHFFFAOYSA-N
XLogP1.62
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane
CID 156850296
methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 175294176
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 43373029
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 176986324

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide (CID 171833589) is ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide is CC.CCC(=O)NCCOCCOCCOCCC(=O)N1CCC(OC)CC1.
What is the InChIKey of ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is SSCMHENRJASQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O6.C2H6/c1-3-17(21)19-7-11-25-13-15-26-14-12-24-10-6-18(22)20-8-4-16(23-2)5-9-20;1-2/h16H,3-15H2,1-2H3,(H,19,21);1-2H3.
What are the key properties of ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide?
ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 404.55 g/mol, XLogP of 1.62, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 171833589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).