N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide

C17H22N2O2 — CID 103707614

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide
SMILESCCOC1CC(NC(=O)c2cccc3cc[nH]c23)C1(C)C
InChIInChI=1S/C17H22N2O2/c1-4-21-14-10-13(17(14,2)3)19-16(20)12-7-5-6-11-8-9-18-15(11)12/h5-9,13-14,18H,4,10H2,1-3H3,(H,19,20)
InChIKeyFYUVQPZOXMXIIS-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.10
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide

N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide (PubChem CID 103707614) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide
PubChem CID103707614
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide
SMILESCCOC1CC(NC(=O)c2cccc3cc[nH]c23)C1(C)C
InChIInChI=1S/C17H22N2O2/c1-4-21-14-10-13(17(14,2)3)19-16(20)12-7-5-6-11-8-9-18-15(11)12/h5-9,13-14,18H,4,10H2,1-3H3,(H,19,20)
InChIKeyFYUVQPZOXMXIIS-UHFFFAOYSA-N
XLogP3.10
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide (CID 103707614) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide is CCOC1CC(NC(=O)c2cccc3cc[nH]c23)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide?
The InChIKey is FYUVQPZOXMXIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-14-10-13(17(14,2)3)19-16(20)12-7-5-6-11-8-9-18-15(11)12/h5-9,13-14,18H,4,10H2,1-3H3,(H,19,20).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 103707614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).