2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide

C18H20N2O2 — CID 3156933

IUPAC2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C18H20N2O2/c1-3-6-12(2)19-16(21)11-20-15-10-5-8-13-7-4-9-14(17(13)15)18(20)22/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,19,21)
InChIKeyMXGNWNJPWCGDQE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.10
Rot. Bonds5

About 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide

2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide (PubChem CID 3156933) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
PubChem CID3156933
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C18H20N2O2/c1-3-6-12(2)19-16(21)11-20-15-10-5-8-13-7-4-9-14(17(13)15)18(20)22/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,19,21)
InChIKeyMXGNWNJPWCGDQE-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 42883537
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
1-(2-aminopentyl)benzo[cd]indol-2-one
CID 62041461
1-(3-methylbutyl)benzo[cd]indol-2-one
CID 18758112
N-butyl-2-[(4-methylphenyl)methyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]propanamide
CID 132718951
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
CID 132665568
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 133201550
methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide (CID 3156933) is 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is MXGNWNJPWCGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-6-12(2)19-16(21)11-20-15-10-5-8-13-7-4-9-14(17(13)15)18(20)22/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide?
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 296.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 3156933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).