N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide

C19H23N3O5 — CID 164923493

IUPACN-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide
SMILESCNC(=O)CCC(C=O)N(C=O)C(=O)c1cc2c(cc1C)CN(CC=O)C2
InChIInChI=1S/C19H23N3O5/c1-13-7-14-9-21(5-6-23)10-15(14)8-17(13)19(27)22(12-25)16(11-24)3-4-18(26)20-2/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,26)
InChIKeyRUUWIMHVZPJYBU-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.20
Rot. Bonds9

About N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide

N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide (PubChem CID 164923493) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide
PubChem CID164923493
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide
SMILESCNC(=O)CCC(C=O)N(C=O)C(=O)c1cc2c(cc1C)CN(CC=O)C2
InChIInChI=1S/C19H23N3O5/c1-13-7-14-9-21(5-6-23)10-15(14)8-17(13)19(27)22(12-25)16(11-24)3-4-18(26)20-2/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,26)
InChIKeyRUUWIMHVZPJYBU-UHFFFAOYSA-N
XLogP0.20
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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7-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-heptanoic acid cyclohexylamide
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Frequently Asked Questions

What is the IUPAC name of N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide (CID 164923493) is N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide is CNC(=O)CCC(C=O)N(C=O)C(=O)c1cc2c(cc1C)CN(CC=O)C2.
What is the InChIKey of N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is RUUWIMHVZPJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-13-7-14-9-21(5-6-23)10-15(14)8-17(13)19(27)22(12-25)16(11-24)3-4-18(26)20-2/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,20,26).
What are the key properties of N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide?
N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 0.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-6-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-2-(2-oxoethyl)-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 164923493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).