1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

C18H16N2O5 — CID 515968

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESCOc1cc(CN2C(=O)C(=O)c3cc(C(N)=O)ccc32)cc(OC)c1
InChIInChI=1S/C18H16N2O5/c1-24-12-5-10(6-13(8-12)25-2)9-20-15-4-3-11(17(19)22)7-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22)
InChIKeyXAKKOTVGIIAFND-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.53
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide

1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (PubChem CID 515968) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
PubChem CID515968
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESCOc1cc(CN2C(=O)C(=O)c3cc(C(N)=O)ccc32)cc(OC)c1
InChIInChI=1S/C18H16N2O5/c1-24-12-5-10(6-13(8-12)25-2)9-20-15-4-3-11(17(19)22)7-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22)
InChIKeyXAKKOTVGIIAFND-UHFFFAOYSA-N
XLogP1.53
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
CID 2141772
5-Methyl-1-(3-(m-tolyloxy)propyl)indoline-2,3-dione
CID 3157305
5-Methyl-1-(3-phenoxypropyl)benzo[d]azolidine-2,3-dione
CID 3157307
1-Benzoyl-5-[(4-methoxyanilino)methyl]indole-2,3-dione
CID 137637339
5-(3-Methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
CID 141372228
1-[(3,5-Dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372231
1-Benzyl-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372251
5-(3,5-Dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
CID 141372267
5-(4-Methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
CID 141372279
1-[(3-Methoxyphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515967
1-[(6-Methoxy-2-naphthyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515969
1-[(3-Hydroxyphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515970

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide (CID 515968) is 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is COc1cc(CN2C(=O)C(=O)c3cc(C(N)=O)ccc32)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
The InChIKey is XAKKOTVGIIAFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-24-12-5-10(6-13(8-12)25-2)9-20-15-4-3-11(17(19)22)7-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide?
1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 515968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).