3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

C23H28N2O3 — CID 109053055

IUPAC3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H28N2O3/c1-3-16-8-5-9-17(4-2)21(16)25-23(27)19-11-6-10-18(14-19)22(26)24-15-20-12-7-13-28-20/h5-6,8-11,14,20H,3-4,7,12-13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPXSKNJYMMSUCOR-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.97
Rot. Bonds7

About 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109053055) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109053055
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H28N2O3/c1-3-16-8-5-9-17(4-2)21(16)25-23(27)19-11-6-10-18(14-19)22(26)24-15-20-12-7-13-28-20/h5-6,8-11,14,20H,3-4,7,12-13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPXSKNJYMMSUCOR-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960084
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
3-(2-methylpropanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202643

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109053055) is 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is PXSKNJYMMSUCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-16-8-5-9-17(4-2)21(16)25-23(27)19-11-6-10-18(14-19)22(26)24-15-20-12-7-13-28-20/h5-6,8-11,14,20H,3-4,7,12-13,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).