N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide

C21H22N2O2 — CID 113207712

IUPACN-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C21H22N2O2/c1-15(2)23(13-16-9-5-4-6-10-16)21(25)20(24)18-14-22(3)19-12-8-7-11-17(18)19/h4-12,14-15H,13H2,1-3H3
InChIKeyCMPILVGSHJZUEM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.80
Rot. Bonds5

About N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide

N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 113207712) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
PubChem CID113207712
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C21H22N2O2/c1-15(2)23(13-16-9-5-4-6-10-16)21(25)20(24)18-14-22(3)19-12-8-7-11-17(18)19/h4-12,14-15H,13H2,1-3H3
InChIKeyCMPILVGSHJZUEM-UHFFFAOYSA-N
XLogP3.80
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
1-(1-methylindol-3-yl)-3-phenylpropane-1,2-dione
CID 153181750
2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone
CID 174330316
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
N-methyl-2-(1-methylindol-3-yl)-N-[(Z)-2-methylsulfonylethylideneamino]-2-oxoacetamide
CID 172989512
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 42785998
1-methylindole-3-carbothioic S-acid
CID 116918837

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide (CID 113207712) is N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is CMPILVGSHJZUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(2)23(13-16-9-5-4-6-10-16)21(25)20(24)18-14-22(3)19-12-8-7-11-17(18)19/h4-12,14-15H,13H2,1-3H3.
What are the key properties of N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide?
N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methylindol-3-yl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 113207712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).