7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide

C26H38N2O3 — CID 56736911

IUPAC7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide
SMILESCCCC1CCC(C(C)NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C26H38N2O3/c1-3-10-20-14-16-21(17-15-20)19(2)27-24(29)13-6-4-5-9-18-28-25(30)22-11-7-8-12-23(22)26(28)31/h7-8,11-12,19-21H,3-6,9-10,13-18H2,1-2H3,(H,27,29)
InChIKeyQGVZRMLLKPOPCV-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.34
Rot. Bonds11

About 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide

7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide (PubChem CID 56736911) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide.

Molecular Properties

Compound Name7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide
PubChem CID56736911
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC Name7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide
SMILESCCCC1CCC(C(C)NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C26H38N2O3/c1-3-10-20-14-16-21(17-15-20)19(2)27-24(29)13-6-4-5-9-18-28-25(30)22-11-7-8-12-23(22)26(28)31/h7-8,11-12,19-21H,3-6,9-10,13-18H2,1-2H3,(H,27,29)
InChIKeyQGVZRMLLKPOPCV-UHFFFAOYSA-N
XLogP5.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4810854
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 8759838
4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
CID 17477366
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
7-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]heptanamide
CID 40786470
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
6-(1,3-dioxoisoindol-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]hexanamide
CID 19462866
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8570098
4-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 41014156
ethyl 3-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-3-(4-methylphenyl)propanoate
CID 5115973

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide?
The IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide (CID 56736911) is 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide.
What is the SMILES notation for 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide?
The canonical SMILES for 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide is CCCC1CCC(C(C)NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide?
The InChIKey is QGVZRMLLKPOPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-3-10-20-14-16-21(17-15-20)19(2)27-24(29)13-6-4-5-9-18-28-25(30)22-11-7-8-12-23(22)26(28)31/h7-8,11-12,19-21H,3-6,9-10,13-18H2,1-2H3,(H,27,29).
What are the key properties of 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide?
7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide has a molecular weight of 426.60 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dioxoisoindol-2-yl)-N-[1-(4-propylcyclohexyl)ethyl]heptanamide is sourced from PubChem (CID 56736911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).