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

C18H20N2O2 — CID 3238683

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c3c(cccc13)C(=O)N2CC
InChIInChI=1S/C18H20N2O2/c1-3-5-9-16(21)19-14-10-11-15-17-12(14)7-6-8-13(17)18(22)20(15)4-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,21)
InChIKeyWSRAOHTXASPHRU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.95
Rot. Bonds5

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

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide (PubChem CID 3238683) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
PubChem CID3238683
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c3c(cccc13)C(=O)N2CC
InChIInChI=1S/C18H20N2O2/c1-3-5-9-16(21)19-14-10-11-15-17-12(14)7-6-8-13(17)18(22)20(15)4-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,21)
InChIKeyWSRAOHTXASPHRU-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 41151522
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
CID 3990187
N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide
CID 3289630
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(3-methylphenyl)urea
CID 23996835
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139612
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323898
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2,6-difluorobenzamide
CID 7136429

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide (CID 3238683) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide is CCCCC(=O)Nc1ccc2c3c(cccc13)C(=O)N2CC.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide?
The InChIKey is WSRAOHTXASPHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-5-9-16(21)19-14-10-11-15-17-12(14)7-6-8-13(17)18(22)20(15)4-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,21).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide has a molecular weight of 296.37 g/mol, XLogP of 3.95, 5 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)pentanamide is sourced from PubChem (CID 3238683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).