N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol

C20H27N3O6 — CID 154690124

IUPACN-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol
SMILESCN(C(=O)c1cccc(NCCCCC=O)c1C=O)C1CCC(=O)NC1=O.CO
InChIInChI=1S/C19H23N3O5.CH4O/c1-22(16-8-9-17(25)21-18(16)26)19(27)13-6-5-7-15(14(13)12-24)20-10-3-2-4-11-23;1-2/h5-7,11-12,16,20H,2-4,8-10H2,1H3,(H,21,25,26);2H,1H3
InChIKeyOMLPIOJNJUWQCI-UHFFFAOYSA-N
MW405.45 g/mol
LogP0.77
Rot. Bonds9

About N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol

N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol (PubChem CID 154690124) has the molecular formula C20H27N3O6 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol
PubChem CID154690124
Molecular FormulaC20H27N3O6
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol
SMILESCN(C(=O)c1cccc(NCCCCC=O)c1C=O)C1CCC(=O)NC1=O.CO
InChIInChI=1S/C19H23N3O5.CH4O/c1-22(16-8-9-17(25)21-18(16)26)19(27)13-6-5-7-15(14(13)12-24)20-10-3-2-4-11-23;1-2/h5-7,11-12,16,20H,2-4,8-10H2,1H3,(H,21,25,26);2H,1H3
InChIKeyOMLPIOJNJUWQCI-UHFFFAOYSA-N
XLogP0.77
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[2-[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylanilino]ethoxy]propanoate
CID 166855337
N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4E)-2-ethenyl-6-hydroxy-5-methylhexa-2,4-dienyl]amino]-2-formylbenzohydrazide
CID 170001226
N-[[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-2-formylphenyl]methyl]quinoxaline-2-carboxamide
CID 143421436
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanal;methanol
CID 168902985
N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
CID 142367681
N-(2,6-dioxopiperidin-3-yl)-2-formyl-6-(5-hydroxypentyl)-N-methylbenzamide
CID 170109243
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-6-(methylamino)benzamide;4-(piperazin-1-ylmethyl)benzaldehyde
CID 170979687
3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170384418
N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide
CID 167048898
1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167275653
2-(4-aminobutoxy)-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methylbenzamide;propane
CID 145229559
tert-butyl N-[(E)-3-[3-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenyl]prop-2-enyl]carbamate
CID 171809365

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol (CID 154690124) is N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol is CN(C(=O)c1cccc(NCCCCC=O)c1C=O)C1CCC(=O)NC1=O.CO.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol?
The InChIKey is OMLPIOJNJUWQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5.CH4O/c1-22(16-8-9-17(25)21-18(16)26)19(27)13-6-5-7-15(14(13)12-24)20-10-3-2-4-11-23;1-2/h5-7,11-12,16,20H,2-4,8-10H2,1H3,(H,21,25,26);2H,1H3.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol?
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol has a molecular weight of 405.45 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol is sourced from PubChem (CID 154690124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).