4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide

C23H28N2O3 — CID 109045638

IUPAC4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-16-7-5-8-17(4-2)21(16)25-23(27)19-12-10-18(11-13-19)22(26)24-15-20-9-6-14-28-20/h5,7-8,10-13,20H,3-4,6,9,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPBUBJGXERQPKFB-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.97
Rot. Bonds7

About 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide

4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109045638) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109045638
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-16-7-5-8-17(4-2)21(16)25-23(27)19-12-10-18(11-13-19)22(26)24-15-20-9-6-14-28-20/h5,7-8,10-13,20H,3-4,6,9,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPBUBJGXERQPKFB-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

3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960084
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016078
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide (CID 109045638) is 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is PBUBJGXERQPKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-16-7-5-8-17(4-2)21(16)25-23(27)19-12-10-18(11-13-19)22(26)24-15-20-9-6-14-28-20/h5,7-8,10-13,20H,3-4,6,9,14-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide?
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-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 4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).