N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C15H14N2O3 — CID 43509846

IUPACN-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NCCO
InChIInChI=1S/C15H14N2O3/c18-8-7-16-13(19)9-17-12-6-2-4-10-3-1-5-11(14(10)12)15(17)20/h1-6,18H,7-9H2,(H,16,19)
InChIKeyXNWCKNBWBADWGK-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.91
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 43509846) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID43509846
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NCCO
InChIInChI=1S/C15H14N2O3/c18-8-7-16-13(19)9-17-12-6-2-4-10-3-1-5-11(14(10)12)15(17)20/h1-6,18H,7-9H2,(H,16,19)
InChIKeyXNWCKNBWBADWGK-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylsulfanylethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2205030
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 848361
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-hydroxyethyl)butanamide
CID 2922128
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 989246
2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36543552
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 124546527
methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 43509846) is N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is XNWCKNBWBADWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-8-7-16-13(19)9-17-12-6-2-4-10-3-1-5-11(14(10)12)15(17)20/h1-6,18H,7-9H2,(H,16,19).
What are the key properties of N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 43509846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).