N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide

C25H28N2O4 — CID 7927858

IUPACN-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C25H28N2O4/c1-2-31-22-14-13-17(15-21(22)23(28)26-18-9-5-3-4-6-10-18)16-27-24(29)19-11-7-8-12-20(19)25(27)30/h7-8,11-15,18H,2-6,9-10,16H2,1H3,(H,26,28)
InChIKeyCOPNQHKXLGJZNQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.33
Rot. Bonds6

About N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide

N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide (PubChem CID 7927858) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
PubChem CID7927858
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C25H28N2O4/c1-2-31-22-14-13-17(15-21(22)23(28)26-18-9-5-3-4-6-10-18)16-27-24(29)19-11-7-8-12-20(19)25(27)30/h7-8,11-15,18H,2-6,9-10,16H2,1H3,(H,26,28)
InChIKeyCOPNQHKXLGJZNQ-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide (CID 7927858) is N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide?
The InChIKey is COPNQHKXLGJZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-2-31-22-14-13-17(15-21(22)23(28)26-18-9-5-3-4-6-10-18)16-27-24(29)19-11-7-8-12-20(19)25(27)30/h7-8,11-15,18H,2-6,9-10,16H2,1H3,(H,26,28).
What are the key properties of N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide?
N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide has a molecular weight of 420.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 7927858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).