N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide

C16H27N3O6 — CID 91096275

IUPACN-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide
SMILESCNC(=O)CCCOC.COCCCC(=O)NCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O4.C6H13NO2/c1-16-6-2-3-8(13)11-7-12-9(14)4-5-10(12)15;1-7-6(8)4-3-5-9-2/h4-5H,2-3,6-7H2,1H3,(H,11,13);3-5H2,1-2H3,(H,7,8)
InChIKeyZNBBAGVGZXSFEX-UHFFFAOYSA-N
MW357.41 g/mol
LogP-0.43
Rot. Bonds10

About N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide

N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide (PubChem CID 91096275) has the molecular formula C16H27N3O6 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide
PubChem CID91096275
Molecular FormulaC16H27N3O6
Molecular Weight357.41 g/mol
Exact Mass357.19
IUPAC NameN-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide
SMILESCNC(=O)CCCOC.COCCCC(=O)NCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O4.C6H13NO2/c1-16-6-2-3-8(13)11-7-12-9(14)4-5-10(12)15;1-7-6(8)4-3-5-9-2/h4-5H,2-3,6-7H2,1H3,(H,11,13);3-5H2,1-2H3,(H,7,8)
InChIKeyZNBBAGVGZXSFEX-UHFFFAOYSA-N
XLogP-0.43
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane
CID 158981138
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
2-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 145373161
3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-N-methylpropanamide
CID 71127231
ethane;7-methoxy-N-methylheptanamide
CID 142389980
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide;methane
CID 172871711
4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide
CID 134579969
N-(2,2-dimethoxyethyl)-4-[2-[4-(2,5-dioxopyrrol-1-yl)butoxy]ethoxy]butanamide
CID 59993756
2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
CID 91129259

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide?
The IUPAC name of N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide (CID 91096275) is N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide.
What is the SMILES notation for N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide?
The canonical SMILES for N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide is CNC(=O)CCCOC.COCCCC(=O)NCN1C(=O)C=CC1=O.
What is the InChIKey of N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide?
The InChIKey is ZNBBAGVGZXSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4.C6H13NO2/c1-16-6-2-3-8(13)11-7-12-9(14)4-5-10(12)15;1-7-6(8)4-3-5-9-2/h4-5H,2-3,6-7H2,1H3,(H,11,13);3-5H2,1-2H3,(H,7,8).
What are the key properties of N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide?
N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide has a molecular weight of 357.41 g/mol, XLogP of -0.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dioxopyrrol-1-yl)methyl]-4-methoxybutanamide;4-methoxy-N-methylbutanamide is sourced from PubChem (CID 91096275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).