N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C17H18N4O2 — CID 7080794

IUPACN-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCCn1ccnc1
InChIInChI=1S/C17H18N4O2/c1-12-15(13-5-2-3-6-14(13)20-12)16(22)17(23)19-7-4-9-21-10-8-18-11-21/h2-3,5-6,8,10-11,20H,4,7,9H2,1H3,(H,19,23)
InChIKeyCPUPJNCXMXCPPU-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.06
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7080794) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID7080794
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCCn1ccnc1
InChIInChI=1S/C17H18N4O2/c1-12-15(13-5-2-3-6-14(13)20-12)16(22)17(23)19-7-4-9-21-10-8-18-11-21/h2-3,5-6,8,10-11,20H,4,7,9H2,1H3,(H,19,23)
InChIKeyCPUPJNCXMXCPPU-UHFFFAOYSA-N
XLogP2.06
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 7080794) is N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is CPUPJNCXMXCPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-15(13-5-2-3-6-14(13)20-12)16(22)17(23)19-7-4-9-21-10-8-18-11-21/h2-3,5-6,8,10-11,20H,4,7,9H2,1H3,(H,19,23).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 310.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7080794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).