N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide

C20H22N2O2 — CID 2307957

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)C4CCCCC4)ccc1c23
InChIInChI=1S/C20H22N2O2/c1-2-22-17-12-11-16(21-19(23)13-7-4-3-5-8-13)14-9-6-10-15(18(14)17)20(22)24/h6,9-13H,2-5,7-8H2,1H3,(H,21,23)
InChIKeyDAEWAKHRKCQMAT-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.34
Rot. Bonds3

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide (PubChem CID 2307957) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide
PubChem CID2307957
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)C4CCCCC4)ccc1c23
InChIInChI=1S/C20H22N2O2/c1-2-22-17-12-11-16(21-19(23)13-7-4-3-5-8-13)14-9-6-10-15(18(14)17)20(22)24/h6,9-13H,2-5,7-8H2,1H3,(H,21,23)
InChIKeyDAEWAKHRKCQMAT-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide (CID 2307957) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide is CCN1C(=O)c2cccc3c(NC(=O)C4CCCCC4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide?
The InChIKey is DAEWAKHRKCQMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-22-17-12-11-16(21-19(23)13-7-4-3-5-8-13)14-9-6-10-15(18(14)17)20(22)24/h6,9-13H,2-5,7-8H2,1H3,(H,21,23).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 2307957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).