N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide

C24H28N2O3 — CID 18156103

IUPACN-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide
SMILESCCN(C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)C1CCCCC1
InChIInChI=1S/C24H28N2O3/c1-2-25(18-11-4-3-5-12-18)21(27)15-8-16-26-23(28)19-13-6-9-17-10-7-14-20(22(17)19)24(26)29/h6-7,9-10,13-14,18H,2-5,8,11-12,15-16H2,1H3
InChIKeyNMRUGELKJJELMK-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.40
Rot. Bonds6

About N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide

N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide (PubChem CID 18156103) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide
PubChem CID18156103
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide
SMILESCCN(C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)C1CCCCC1
InChIInChI=1S/C24H28N2O3/c1-2-25(18-11-4-3-5-12-18)21(27)15-8-16-26-23(28)19-13-6-9-17-10-7-14-20(22(17)19)24(26)29/h6-7,9-10,13-14,18H,2-5,8,11-12,15-16H2,1H3
InChIKeyNMRUGELKJJELMK-UHFFFAOYSA-N
XLogP4.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide with MolForge

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Related Compounds

sodium 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 23680122
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 129376627
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 3944520
N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 6625539
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methylbutanamide
CID 3276380
ethyl 1-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoyl]piperidine-4-carboxylate
CID 4807784
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methyl-N-(1-phenylethyl)butanamide
CID 43021998
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 7184856
N-[(4-chlorophenyl)methyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methylbutanamide
CID 26731693
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-pentan-3-ylbutanamide
CID 4810982
N-(cyclopentylmethyl)-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 86868528

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide?
The IUPAC name of N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide (CID 18156103) is N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide?
The canonical SMILES for N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide is CCN(C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide?
The InChIKey is NMRUGELKJJELMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-25(18-11-4-3-5-12-18)21(27)15-8-16-26-23(28)19-13-6-9-17-10-7-14-20(22(17)19)24(26)29/h6-7,9-10,13-14,18H,2-5,8,11-12,15-16H2,1H3.
What are the key properties of N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide?
N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide has a molecular weight of 392.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide is sourced from PubChem (CID 18156103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).