2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide

C16H20N2O3 — CID 123864868

IUPAC2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCCn1cc(C(=O)C(=O)NC(C)C)c2cc(OC)ccc21
InChIInChI=1S/C16H20N2O3/c1-5-18-9-13(15(19)16(20)17-10(2)3)12-8-11(21-4)6-7-14(12)18/h6-10H,5H2,1-4H3,(H,17,20)
InChIKeyBCPQJGPEZKNHFH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.38
Rot. Bonds5

About 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide

2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 123864868) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
PubChem CID123864868
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCCn1cc(C(=O)C(=O)NC(C)C)c2cc(OC)ccc21
InChIInChI=1S/C16H20N2O3/c1-5-18-9-13(15(19)16(20)17-10(2)3)12-8-11(21-4)6-7-14(12)18/h6-10H,5H2,1-4H3,(H,17,20)
InChIKeyBCPQJGPEZKNHFH-UHFFFAOYSA-N
XLogP2.38
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
CID 57297438
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
CID 45264362
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
2,2-dimethylpropyl 5-methoxy-1-propylindole-3-carboxylate
CID 141093705
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411
1-ethyl-6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide
CID 27245376

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide (CID 123864868) is 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide is CCn1cc(C(=O)C(=O)NC(C)C)c2cc(OC)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is BCPQJGPEZKNHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-18-9-13(15(19)16(20)17-10(2)3)12-8-11(21-4)6-7-14(12)18/h6-10H,5H2,1-4H3,(H,17,20).
What are the key properties of 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide?
2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 288.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 123864868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).