N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide

C20H25NO6 — CID 164592353

IUPACN-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide
SMILESCN(C(=O)c1c(C=O)cccc1OCCCCCC=O)C(C=O)CCC=O
InChIInChI=1S/C20H25NO6/c1-21(17(15-25)9-7-12-23)20(26)19-16(14-24)8-6-10-18(19)27-13-5-3-2-4-11-22/h6,8,10-12,14-15,17H,2-5,7,9,13H2,1H3
InChIKeyDZCDDSTWKCOQJV-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.26
Rot. Bonds14

About N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide

N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide (PubChem CID 164592353) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide.

Molecular Properties

Compound NameN-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide
PubChem CID164592353
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC NameN-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide
SMILESCN(C(=O)c1c(C=O)cccc1OCCCCCC=O)C(C=O)CCC=O
InChIInChI=1S/C20H25NO6/c1-21(17(15-25)9-7-12-23)20(26)19-16(14-24)8-6-10-18(19)27-13-5-3-2-4-11-22/h6,8,10-12,14-15,17H,2-5,7,9,13H2,1H3
InChIKeyDZCDDSTWKCOQJV-UHFFFAOYSA-N
XLogP2.26
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(2-aminoethylamino)-N-(1,5-dioxopentan-2-yl)-6-formyl-N-methylbenzamide;N-methylmethanamine
CID 163266221
4-[3-formyl-2-[methyl(1-oxopentan-2-yl)carbamoyl]anilino]butanoic acid
CID 155719125
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170749250
2-[2-(3-oxopropyl)octoxy]benzaldehyde
CID 57292995
2-(4-aminobutoxy)-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methylbenzamide;propane
CID 145229559
7-[[2-[3-formyl-2-[methyl-[1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]anilino]acetyl]amino]heptanoic acid
CID 167470955
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
N-[2-(2-formylphenoxy)ethyl]-N-methylacetamide
CID 82037026
methyl 2-formyl-6-methoxybenzoate
CID 12730360

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide?
The IUPAC name of N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide (CID 164592353) is N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide.
What is the SMILES notation for N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide?
The canonical SMILES for N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide is CN(C(=O)c1c(C=O)cccc1OCCCCCC=O)C(C=O)CCC=O.
What is the InChIKey of N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide?
The InChIKey is DZCDDSTWKCOQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-21(17(15-25)9-7-12-23)20(26)19-16(14-24)8-6-10-18(19)27-13-5-3-2-4-11-22/h6,8,10-12,14-15,17H,2-5,7,9,13H2,1H3.
What are the key properties of N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide?
N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide has a molecular weight of 375.42 g/mol, XLogP of 2.26, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide is sourced from PubChem (CID 164592353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).