4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide

C19H22N2O3 — CID 111104838

IUPAC4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-21(4-2)19(24)16-10-8-15(9-11-16)18(23)20-17-7-5-6-14(12-17)13-22/h5-12,22H,3-4,13H2,1-2H3,(H,20,23)
InChIKeyOZFZYIMZPCCMSC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.91
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 111104838) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID111104838
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-21(4-2)19(24)16-10-8-15(9-11-16)18(23)20-17-7-5-6-14(12-17)13-22/h5-12,22H,3-4,13H2,1-2H3,(H,20,23)
InChIKeyOZFZYIMZPCCMSC-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46440370
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide (CID 111104838) is 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is OZFZYIMZPCCMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-21(4-2)19(24)16-10-8-15(9-11-16)18(23)20-17-7-5-6-14(12-17)13-22/h5-12,22H,3-4,13H2,1-2H3,(H,20,23).
What are the key properties of 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 111104838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).