6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide

C24H20N2O3 — CID 90578229

IUPAC6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCC#CCOc3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C24H20N2O3/c1-28-19-12-11-18-15-22(26-21(18)16-19)24(27)25-13-4-5-14-29-23-10-6-8-17-7-2-3-9-20(17)23/h2-3,6-12,15-16,26H,13-14H2,1H3,(H,25,27)
InChIKeyFMTUODMRLZMXFR-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.14
Rot. Bonds5

About 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide

6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide (PubChem CID 90578229) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide
PubChem CID90578229
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCC#CCOc3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C24H20N2O3/c1-28-19-12-11-18-15-22(26-21(18)16-19)24(27)25-13-4-5-14-29-23-10-6-8-17-7-2-3-9-20(17)23/h2-3,6-12,15-16,26H,13-14H2,1H3,(H,25,27)
InChIKeyFMTUODMRLZMXFR-UHFFFAOYSA-N
XLogP4.14
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-carbamoylphenoxy)but-2-ynyl]-6-methoxy-1H-indole-2-carboxamide
CID 90580572
N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
CID 90574335
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide
CID 90579189
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-(4-naphthalen-1-yloxybut-2-ynyl)-3H-benzimidazole-5-carboxamide
CID 90578009
N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 87034067
6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide
CID 71779476

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide (CID 90578229) is 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCC#CCOc3cccc4ccccc34)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide?
The InChIKey is FMTUODMRLZMXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-28-19-12-11-18-15-22(26-21(18)16-19)24(27)25-13-4-5-14-29-23-10-6-8-17-7-2-3-9-20(17)23/h2-3,6-12,15-16,26H,13-14H2,1H3,(H,25,27).
What are the key properties of 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide?
6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 90578229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).