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

C21H22N2O2 — CID 848361

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NCCC1=CCCCC1
InChIInChI=1S/C21H22N2O2/c24-19(22-13-12-15-6-2-1-3-7-15)14-23-18-11-5-9-16-8-4-10-17(20(16)18)21(23)25/h4-6,8-11H,1-3,7,12-14H2,(H,22,24)
InChIKeyXHGZAAOBNDWELV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.81
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 848361) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID848361
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NCCC1=CCCCC1
InChIInChI=1S/C21H22N2O2/c24-19(22-13-12-15-6-2-1-3-7-15)14-23-18-11-5-9-16-8-4-10-17(20(16)18)21(23)25/h4-6,8-11H,1-3,7,12-14H2,(H,22,24)
InChIKeyXHGZAAOBNDWELV-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-(2-benzylsulfanylethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2205030
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 60519643
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2579989
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 2682905
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 4800196
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 27666419
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 848361) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is XHGZAAOBNDWELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19(22-13-12-15-6-2-1-3-7-15)14-23-18-11-5-9-16-8-4-10-17(20(16)18)21(23)25/h4-6,8-11H,1-3,7,12-14H2,(H,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 848361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).