N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide

C25H28N2O4 — CID 27670598

IUPACN-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C25H28N2O4/c1-3-31-22-14-13-17(15-21(22)23(28)26(2)18-9-5-4-6-10-18)16-27-24(29)19-11-7-8-12-20(19)25(27)30/h7-8,11-15,18H,3-6,9-10,16H2,1-2H3
InChIKeyJEHREZCUCGZVCH-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.29
Rot. Bonds6

About N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide

N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide (PubChem CID 27670598) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide
PubChem CID27670598
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C25H28N2O4/c1-3-31-22-14-13-17(15-21(22)23(28)26(2)18-9-5-4-6-10-18)16-27-24(29)19-11-7-8-12-20(19)25(27)30/h7-8,11-15,18H,3-6,9-10,16H2,1-2H3
InChIKeyJEHREZCUCGZVCH-UHFFFAOYSA-N
XLogP4.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
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-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide (CID 27670598) is N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide?
The InChIKey is JEHREZCUCGZVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-31-22-14-13-17(15-21(22)23(28)26(2)18-9-5-4-6-10-18)16-27-24(29)19-11-7-8-12-20(19)25(27)30/h7-8,11-15,18H,3-6,9-10,16H2,1-2H3.
What are the key properties of N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide?
N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide has a molecular weight of 420.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide is sourced from PubChem (CID 27670598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).