3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide

C19H22N2O3 — CID 111458178

IUPAC3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCc2ccccc2CO)c1
InChIInChI=1S/C19H22N2O3/c1-2-10-20-18(23)14-8-5-9-15(11-14)19(24)21-12-16-6-3-4-7-17(16)13-22/h3-9,11,22H,2,10,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyVRBZTWRBNXSPPC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.25
Rot. Bonds7

About 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide

3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 111458178) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID111458178
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCc2ccccc2CO)c1
InChIInChI=1S/C19H22N2O3/c1-2-10-20-18(23)14-8-5-9-15(11-14)19(24)21-12-16-6-3-4-7-17(16)13-22/h3-9,11,22H,2,10,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyVRBZTWRBNXSPPC-UHFFFAOYSA-N
XLogP2.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
N-[[2-(hydroxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 110902363
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 111115313
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
CID 111102347
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
3-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111218012

Frequently Asked Questions

What is the IUPAC name of 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide (CID 111458178) is 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)NCc2ccccc2CO)c1.
What is the InChIKey of 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is VRBZTWRBNXSPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-10-20-18(23)14-8-5-9-15(11-14)19(24)21-12-16-6-3-4-7-17(16)13-22/h3-9,11,22H,2,10,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide?
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 111458178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).