N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide

C20H20N2O5 — CID 10690371

IUPACN-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide
SMILESCOC1=CC(=O)c2c(c(COc3cccc(NC(C)=O)c3)c(C)n2C)C1=O
InChIInChI=1S/C20H20N2O5/c1-11-15(10-27-14-7-5-6-13(8-14)21-12(2)23)18-19(22(11)3)16(24)9-17(26-4)20(18)25/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyHEAODTZHNFGEHQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.78
Rot. Bonds5

About N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide

N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide (PubChem CID 10690371) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide
PubChem CID10690371
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide
SMILESCOC1=CC(=O)c2c(c(COc3cccc(NC(C)=O)c3)c(C)n2C)C1=O
InChIInChI=1S/C20H20N2O5/c1-11-15(10-27-14-7-5-6-13(8-14)21-12(2)23)18-19(22(11)3)16(24)9-17(26-4)20(18)25/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyHEAODTZHNFGEHQ-UHFFFAOYSA-N
XLogP2.78
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)indole-4,7-dione
CID 4470790
5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione
CID 4469805
2-[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
CID 2109651
2-(4-(2-Amino-2-oxoethoxy)-1-benzyl-2-ethyl-1H-indol-3-yl)-2-oxoacetamide
CID 10833571
5-Methoxy-3-[(2-methoxy-4-nitrophenoxy)methyl]-1,2-dimethylindole-4,7-dione
CID 10861986
3-[(4-Fluorophenoxy)methyl]-5-methoxy-1,2-dimethyl-1H-indole-4,7-dione
CID 10616319
6-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione
CID 11688978
4-Acetyl-N-[3-(2-Amino-2-Oxoethoxy)phenyl]-3-Ethyl-5-Methyl-1h-Pyrrole-2-Carboxamide
CID 71940129
CB2 Inhibitor, 4
CID 7599208
2-O-[2-(4-ethoxyanilino)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2418592
ethyl 4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamoyl)-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 3239136
1-(5-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl}-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
CID 3241918

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide (CID 10690371) is N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide is COC1=CC(=O)c2c(c(COc3cccc(NC(C)=O)c3)c(C)n2C)C1=O.
What is the InChIKey of N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide?
The InChIKey is HEAODTZHNFGEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-11-15(10-27-14-7-5-6-13(8-14)21-12(2)23)18-19(22(11)3)16(24)9-17(26-4)20(18)25/h5-9H,10H2,1-4H3,(H,21,23).
What are the key properties of N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide?
N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methoxy-1,2-dimethyl-4,7-dioxoindol-3-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 10690371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).