N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide

C13H15NO4 — CID 18445847

IUPACN-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide
SMILESCOc1cc2c(c(NC(C)=O)c1OC)CCC2=O
InChIInChI=1S/C13H15NO4/c1-7(15)14-12-8-4-5-10(16)9(8)6-11(17-2)13(12)18-3/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyCDDDTCJVJYYXHI-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.79
Rot. Bonds3

About N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide

N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide (PubChem CID 18445847) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide
PubChem CID18445847
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC NameN-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide
SMILESCOc1cc2c(c(NC(C)=O)c1OC)CCC2=O
InChIInChI=1S/C13H15NO4/c1-7(15)14-12-8-4-5-10(16)9(8)6-11(17-2)13(12)18-3/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyCDDDTCJVJYYXHI-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethoxy-1,2-dihydrocyclopenta[a]naphthalen-3-one
CID 15573852
N-(5-formyl-2,3-dimethoxy-6-methylphenyl)acetamide
CID 84798477
N-(1-acetyl-7,8-dimethoxy-4-oxo-2,3-dihydroquinolin-5-yl)acetamide
CID 11781721
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one
CID 55271105
2-hydroxy-5,6,7-trimethoxy-3,4-dihydronaphthalene-1-carboxylic acid
CID 151109403
N-(2,6-difluoro-3,5-dimethoxyphenyl)acetamide
CID 150969889
7-(hydroxymethyl)-1,2,3-trimethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71272183
5-acetamido-6-methoxynaphthalene-2-carboxylic acid
CID 167738433
N-[2-(1-aminoethyl)-6-methoxyphenyl]acetamide
CID 117297795
5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 11355962
5,6-dimethoxy-2-(3,4,5-trimethoxybenzoyl)-2,3-dihydroinden-1-one
CID 45101493

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide?
The IUPAC name of N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide (CID 18445847) is N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide?
The canonical SMILES for N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide is COc1cc2c(c(NC(C)=O)c1OC)CCC2=O.
What is the InChIKey of N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide?
The InChIKey is CDDDTCJVJYYXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-7(15)14-12-8-4-5-10(16)9(8)6-11(17-2)13(12)18-3/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide?
N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide has a molecular weight of 249.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1-oxo-2,3-dihydroinden-4-yl)acetamide is sourced from PubChem (CID 18445847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).