4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide

C20H28N2O7 — CID 175868079

IUPAC4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESO=CCCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C20H28N2O7/c23-9-1-2-19(25)21-7-10-27-12-14-29-15-13-28-11-8-22-20(26)18-5-3-17(16-24)4-6-18/h3-6,9,16H,1-2,7-8,10-15H2,(H,21,25)(H,22,26)
InChIKeyAUQINBFPJVIBQR-UHFFFAOYSA-N
MW408.45 g/mol
LogP0.37
Rot. Bonds17

About 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide

4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 175868079) has the molecular formula C20H28N2O7 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
PubChem CID175868079
Molecular FormulaC20H28N2O7
Molecular Weight408.45 g/mol
Exact Mass408.19
IUPAC Name4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESO=CCCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C20H28N2O7/c23-9-1-2-19(25)21-7-10-27-12-14-29-15-13-28-11-8-22-20(26)18-5-3-17(16-24)4-6-18/h3-6,9,16H,1-2,7-8,10-15H2,(H,21,25)(H,22,26)
InChIKeyAUQINBFPJVIBQR-UHFFFAOYSA-N
XLogP0.37
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
CID 89427030
(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 75534964
N-[2-[2-[2-[2-[3-[1,3-bis[3-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-formylbenzamide
CID 146673151
4-[(E)-2-aminoethenyl]-N-[2-[2-[2-[2-(pentanoylamino)ethylperoxy]ethoxy]ethoxy]ethyl]benzamide
CID 170570417
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154776108
16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
4-amino-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]benzamide
CID 90278399
N-butyl-4-formylbenzamide
CID 118474745
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide (CID 175868079) is 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide is O=CCCC(=O)NCCOCCOCCOCCNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is AUQINBFPJVIBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O7/c23-9-1-2-19(25)21-7-10-27-12-14-29-15-13-28-11-8-22-20(26)18-5-3-17(16-24)4-6-18/h3-6,9,16H,1-2,7-8,10-15H2,(H,21,25)(H,22,26).
What are the key properties of 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 408.45 g/mol, XLogP of 0.37, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 175868079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).