N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide

C15H24N2O6 — CID 23502085

IUPACN-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
SMILESCCCCONC(=O)CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O6/c1-2-3-8-23-16-13(18)6-9-21-11-12-22-10-7-17-14(19)4-5-15(17)20/h4-5H,2-3,6-12H2,1H3,(H,16,18)
InChIKeyJBUNXHGEOUYGIU-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.18
Rot. Bonds13

About N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide

N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide (PubChem CID 23502085) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
PubChem CID23502085
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC NameN-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide
SMILESCCCCONC(=O)CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H24N2O6/c1-2-3-8-23-16-13(18)6-9-21-11-12-22-10-7-17-14(19)4-5-15(17)20/h4-5H,2-3,6-12H2,1H3,(H,16,18)
InChIKeyJBUNXHGEOUYGIU-UHFFFAOYSA-N
XLogP0.18
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 58537159
3-[2-[2-[2-(2,5-Dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide
CID 58685972
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide
CID 68217908
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
CID 71127231
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-ethylpropanamide
CID 117672087
N-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 118201357
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 121291288
3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 121327488
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 122495929
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methyl-N-[2-(methylamino)ethyl]propanamide
CID 123957132
N-(2-aminoethyl)-3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanamide
CID 124091765
3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 132222058

Frequently Asked Questions

What is the IUPAC name of N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The IUPAC name of N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide (CID 23502085) is N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The canonical SMILES for N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide is CCCCONC(=O)CCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
The InChIKey is JBUNXHGEOUYGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-2-3-8-23-16-13(18)6-9-21-11-12-22-10-7-17-14(19)4-5-15(17)20/h4-5H,2-3,6-12H2,1H3,(H,16,18).
What are the key properties of N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide?
N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide has a molecular weight of 328.37 g/mol, XLogP of 0.18, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanamide is sourced from PubChem (CID 23502085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).