4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide

C20H24N2O3 — CID 111102347

IUPAC4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C20H24N2O3/c1-3-22(4-2)20(25)16-11-9-15(10-12-16)19(24)21-13-17-7-5-6-8-18(17)14-23/h5-12,23H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyFAOSNOVLJHHOGB-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.59
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide (PubChem CID 111102347) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
PubChem CID111102347
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C20H24N2O3/c1-3-22(4-2)20(25)16-11-9-15(10-12-16)19(24)21-13-17-7-5-6-8-18(17)14-23/h5-12,23H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyFAOSNOVLJHHOGB-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 111115313
N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
CID 110909622
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 111458178
N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
CID 86983565
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929877
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide (CID 111102347) is 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(C(=O)NCc2ccccc2CO)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide?
The InChIKey is FAOSNOVLJHHOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-22(4-2)20(25)16-11-9-15(10-12-16)19(24)21-13-17-7-5-6-8-18(17)14-23/h5-12,23H,3-4,13-14H2,1-2H3,(H,21,24).
What are the key properties of 4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.59, 7 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-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 111102347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).