N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C20H22N2O2 — CID 7894076

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H22N2O2/c1-13-6-2-3-10-16(13)21-18(23)12-22-17-11-5-8-14-7-4-9-15(19(14)17)20(22)24/h4-5,7-9,11,13,16H,2-3,6,10,12H2,1H3,(H,21,23)/t13-,16-/m1/s1
InChIKeyJZQNWBJDVHGSRD-CZUORRHYSA-N
MW322.41 g/mol
LogP3.49
Rot. Bonds3

About N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 7894076) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID7894076
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H22N2O2/c1-13-6-2-3-10-16(13)21-18(23)12-22-17-11-5-8-14-7-4-9-15(19(14)17)20(22)24/h4-5,7-9,11,13,16H,2-3,6,10,12H2,1H3,(H,21,23)/t13-,16-/m1/s1
InChIKeyJZQNWBJDVHGSRD-CZUORRHYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2947102
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7365109
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7894058
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 129376627
N-cyclohexyl-2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzamide
CID 1091802
2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide
CID 110214253
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11919445
N-[(1R,2S)-2-methylcyclohexyl]-2-[(6R)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]acetamide
CID 92583873
N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 42883537
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 7894076) is N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is JZQNWBJDVHGSRD-CZUORRHYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-6-2-3-10-16(13)21-18(23)12-22-17-11-5-8-14-7-4-9-15(19(14)17)20(22)24/h4-5,7-9,11,13,16H,2-3,6,10,12H2,1H3,(H,21,23)/t13-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 7894076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).