N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide

C15H18N2O2 — CID 44596466

IUPACN-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-3-4-9-16-15(19)14(18)12-10-17(2)13-8-6-5-7-11(12)13/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)
InChIKeyBLVVEYNRUUWASM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.28
Rot. Bonds5

About N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide

N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 44596466) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID44596466
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCCCCNC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-3-4-9-16-15(19)14(18)12-10-17(2)13-8-6-5-7-11(12)13/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)
InChIKeyBLVVEYNRUUWASM-UHFFFAOYSA-N
XLogP2.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
1-[(1-methylindole-3-carbonyl)amino]-3-pentylthiourea
CID 9187866
2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide
CID 175772189
2-(1-methylindol-3-yl)-N-propylpent-2-enamide
CID 140983221
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 44596466) is N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide is CCCCNC(=O)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is BLVVEYNRUUWASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-4-9-16-15(19)14(18)12-10-17(2)13-8-6-5-7-11(12)13/h5-8,10H,3-4,9H2,1-2H3,(H,16,19).
What are the key properties of N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 258.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 44596466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).