2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide

C19H18N2O2 — CID 4918878

IUPAC2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
SMILESCn1cc(C(=O)C(=O)NCCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H18N2O2/c1-21-13-16(15-9-5-6-10-17(15)21)18(22)19(23)20-12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,23)
InChIKeyRSJQJMVLQDBNDP-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.72
Rot. Bonds5

About 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide

2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide (PubChem CID 4918878) has the molecular formula C19H18N2O2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
PubChem CID4918878
Molecular FormulaC19H18N2O2
Molecular Weight306.36 g/mol
Exact Mass306.14
IUPAC Name2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
SMILESCn1cc(C(=O)C(=O)NCCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H18N2O2/c1-21-13-16(15-9-5-6-10-17(15)21)18(22)19(23)20-12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,23)
InChIKeyRSJQJMVLQDBNDP-UHFFFAOYSA-N
XLogP2.72
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.72
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-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 10570003
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
N'-methyl-2-(1-methylindol-3-yl)-2-oxo-N'-phenylacetohydrazide
CID 10542762
N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 113207712
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207729

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide (CID 4918878) is 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide is Cn1cc(C(=O)C(=O)NCCc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The InChIKey is RSJQJMVLQDBNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-21-13-16(15-9-5-6-10-17(15)21)18(22)19(23)20-12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,23).
What are the key properties of 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide?
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide has a molecular weight of 306.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4918878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).