6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide

C26H30N2O3 — CID 3149895

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C26H30N2O3/c1-18(20-15-14-19-9-4-5-10-21(19)17-20)27-24(29)13-3-2-8-16-28-25(30)22-11-6-7-12-23(22)26(28)31/h6-7,11-12,14-15,17-18H,2-5,8-10,13,16H2,1H3,(H,27,29)
InChIKeyCBFBHHZVDKOUNK-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.60
Rot. Bonds8

About 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide (PubChem CID 3149895) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide
PubChem CID3149895
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C26H30N2O3/c1-18(20-15-14-19-9-4-5-10-21(19)17-20)27-24(29)13-3-2-8-16-28-25(30)22-11-6-7-12-23(22)26(28)31/h6-7,11-12,14-15,17-18H,2-5,8-10,13,16H2,1H3,(H,27,29)
InChIKeyCBFBHHZVDKOUNK-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.60
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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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide (CID 3149895) is 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide is CC(NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide?
The InChIKey is CBFBHHZVDKOUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-18(20-15-14-19-9-4-5-10-21(19)17-20)27-24(29)13-3-2-8-16-28-25(30)22-11-6-7-12-23(22)26(28)31/h6-7,11-12,14-15,17-18H,2-5,8-10,13,16H2,1H3,(H,27,29).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide has a molecular weight of 418.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hexanamide is sourced from PubChem (CID 3149895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).