N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C20H24N2O2 — CID 951912

IUPACN-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCC(C)C(NC(=O)CN1C(=O)c2cccc3cccc1c23)C(C)C
InChIInChI=1S/C20H24N2O2/c1-12(2)19(13(3)4)21-17(23)11-22-16-10-6-8-14-7-5-9-15(18(14)16)20(22)24/h5-10,12-13,19H,11H2,1-4H3,(H,21,23)
InChIKeyPBCJUYKDAMKARB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.60
Rot. Bonds5

About N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 951912) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID951912
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCC(C)C(NC(=O)CN1C(=O)c2cccc3cccc1c23)C(C)C
InChIInChI=1S/C20H24N2O2/c1-12(2)19(13(3)4)21-17(23)11-22-16-10-6-8-14-7-5-9-15(18(14)16)20(22)24/h5-10,12-13,19H,11H2,1-4H3,(H,21,23)
InChIKeyPBCJUYKDAMKARB-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 951912) is N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is CC(C)C(NC(=O)CN1C(=O)c2cccc3cccc1c23)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is PBCJUYKDAMKARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-12(2)19(13(3)4)21-17(23)11-22-16-10-6-8-14-7-5-9-15(18(14)16)20(22)24/h5-10,12-13,19H,11H2,1-4H3,(H,21,23).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 951912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).