1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide

C23H26N2O4 — CID 109048581

IUPAC1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H26N2O4/c26-22(24-18-5-3-1-2-4-6-18)16-7-9-17(10-8-16)23(27)25-19-11-12-20-21(15-19)29-14-13-28-20/h7-12,15,18H,1-6,13-14H2,(H,24,26)(H,25,27)
InChIKeyRUMCFYCQRLAUAP-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.16
Rot. Bonds4

About 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide

1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide (PubChem CID 109048581) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
PubChem CID109048581
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H26N2O4/c26-22(24-18-5-3-1-2-4-6-18)16-7-9-17(10-8-16)23(27)25-19-11-12-20-21(15-19)29-14-13-28-20/h7-12,15,18H,1-6,13-14H2,(H,24,26)(H,25,27)
InChIKeyRUMCFYCQRLAUAP-UHFFFAOYSA-N
XLogP4.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-[4-(cyclopentylcarbamoyl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 55992219
6-N-cyclopropyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,6-dicarboxamide
CID 109093973
4-benzamido-N-cyclopentylbenzamide
CID 1262350
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
3-[6-(cyclohexylamino)pyrimidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 53009874
N-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazine-3-carboxamide
CID 109113116
4-tert-butyl-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445029
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide (CID 109048581) is 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide?
The InChIKey is RUMCFYCQRLAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-22(24-18-5-3-1-2-4-6-18)16-7-9-17(10-8-16)23(27)25-19-11-12-20-21(15-19)29-14-13-28-20/h7-12,15,18H,1-6,13-14H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide?
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).