2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide

C14H16N2O2 — CID 113207654

IUPAC2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-8-15-14(18)13(17)11-9-16(2)12-7-5-4-6-10(11)12/h4-7,9H,3,8H2,1-2H3,(H,15,18)
InChIKeyBCROXCOAUZJVJE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.89
Rot. Bonds4

About 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide

2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide (PubChem CID 113207654) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
PubChem CID113207654
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-8-15-14(18)13(17)11-9-16(2)12-7-5-4-6-10(11)12/h4-7,9H,3,8H2,1-2H3,(H,15,18)
InChIKeyBCROXCOAUZJVJE-UHFFFAOYSA-N
XLogP1.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.89
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

N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
2-(1-methylindol-3-yl)-N-propylpent-2-enamide
CID 140983221
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide
CID 175772189
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 10570003
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207729
2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 113207737

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide (CID 113207654) is 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide is CCCNC(=O)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide?
The InChIKey is BCROXCOAUZJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-8-15-14(18)13(17)11-9-16(2)12-7-5-4-6-10(11)12/h4-7,9H,3,8H2,1-2H3,(H,15,18).
What are the key properties of 2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide?
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide has a molecular weight of 244.29 g/mol, XLogP of 1.89, 4 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-propylacetamide is sourced from PubChem (CID 113207654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).