N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide

C18H18N2O2 — CID 134002747

IUPACN-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2ccc(OC)cc2[nH]1
InChIInChI=1S/C18H18N2O2/c1-3-12-6-4-5-7-15(12)20-18(21)17-10-13-8-9-14(22-2)11-16(13)19-17/h4-11,19H,3H2,1-2H3,(H,20,21)
InChIKeyJNRVBOCYKXUBCU-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.99
Rot. Bonds4

About N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide

N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 134002747) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID134002747
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2ccc(OC)cc2[nH]1
InChIInChI=1S/C18H18N2O2/c1-3-12-6-4-5-7-15(12)20-18(21)17-10-13-8-9-14(22-2)11-16(13)19-17/h4-11,19H,3H2,1-2H3,(H,20,21)
InChIKeyJNRVBOCYKXUBCU-UHFFFAOYSA-N
XLogP3.99
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide (CID 134002747) is N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide is CCc1ccccc1NC(=O)c1cc2ccc(OC)cc2[nH]1.
What is the InChIKey of N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is JNRVBOCYKXUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12-6-4-5-7-15(12)20-18(21)17-10-13-8-9-14(22-2)11-16(13)19-17/h4-11,19H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide?
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 134002747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).