3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide

C15H30N2O5 — CID 146602613

IUPAC3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)CCOCCOCCOCCNC(=O)CCNC
InChIInChI=1S/C15H30N2O5/c1-3-14(18)5-8-20-10-12-22-13-11-21-9-7-17-15(19)4-6-16-2/h16H,3-13H2,1-2H3,(H,17,19)
InChIKeyHQWAIQMCYHQIAN-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.13
Rot. Bonds16

About 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide

3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 146602613) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
PubChem CID146602613
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Name3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)CCOCCOCCOCCNC(=O)CCNC
InChIInChI=1S/C15H30N2O5/c1-3-14(18)5-8-20-10-12-22-13-11-21-9-7-17-15(19)4-6-16-2/h16H,3-13H2,1-2H3,(H,17,19)
InChIKeyHQWAIQMCYHQIAN-UHFFFAOYSA-N
XLogP0.13
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
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-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide
CID 163442733
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide (CID 146602613) is 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide is CCC(=O)CCOCCOCCOCCNC(=O)CCNC.
What is the InChIKey of 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is HQWAIQMCYHQIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5/c1-3-14(18)5-8-20-10-12-22-13-11-21-9-7-17-15(19)4-6-16-2/h16H,3-13H2,1-2H3,(H,17,19).
What are the key properties of 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide?
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 318.41 g/mol, XLogP of 0.13, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 146602613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).