N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide

C15H18N2O3 — CID 168946806

IUPACN-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide
SMILESCCN(C)C(=O)C(=O)c1c[nH]c2c(C)cc(OC)cc12
InChIInChI=1S/C15H18N2O3/c1-5-17(3)15(19)14(18)12-8-16-13-9(2)6-10(20-4)7-11(12)13/h6-8,16H,5H2,1-4H3
InChIKeyBMNFCBHCBQGCBR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.15
Rot. Bonds4

About N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide

N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide (PubChem CID 168946806) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide
PubChem CID168946806
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide
SMILESCCN(C)C(=O)C(=O)c1c[nH]c2c(C)cc(OC)cc12
InChIInChI=1S/C15H18N2O3/c1-5-17(3)15(19)14(18)12-8-16-13-9(2)6-10(20-4)7-11(12)13/h6-8,16H,5H2,1-4H3
InChIKeyBMNFCBHCBQGCBR-UHFFFAOYSA-N
XLogP2.15
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 168946827
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82495967
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206131
3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84632477
2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
CID 122697814
ethyl 5-methoxy-7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indole-3-carboxylate
CID 70813803
8-methyl-4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylic acid
CID 82246146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide (CID 168946806) is N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide is CCN(C)C(=O)C(=O)c1c[nH]c2c(C)cc(OC)cc12.
What is the InChIKey of N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The InChIKey is BMNFCBHCBQGCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-5-17(3)15(19)14(18)12-8-16-13-9(2)6-10(20-4)7-11(12)13/h6-8,16H,5H2,1-4H3.
What are the key properties of N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide has a molecular weight of 274.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 168946806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).