N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide

C19H24N2O2 — CID 110909622

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C19H24N2O2/c1-3-12-21(2)18-10-8-15(9-11-18)19(23)20-13-16-6-4-5-7-17(16)14-22/h4-11,22H,3,12-14H2,1-2H3,(H,20,23)
InChIKeyFBSAAYZJQFIPDX-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.96
Rot. Bonds7

About N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide

N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide (PubChem CID 110909622) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
PubChem CID110909622
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)NCc2ccccc2CO)cc1
InChIInChI=1S/C19H24N2O2/c1-3-12-21(2)18-10-8-15(9-11-18)19(23)20-13-16-6-4-5-7-17(16)14-22/h4-11,22H,3,12-14H2,1-2H3,(H,20,23)
InChIKeyFBSAAYZJQFIPDX-UHFFFAOYSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
CID 111102347
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 111115313
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 111458178
N-(2-amino-2-methylpropyl)-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119630817
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
N-(2-amino-2-ethylbutyl)-4-[methyl(propyl)amino]benzamide
CID 119644057
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 47086005
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide (CID 110909622) is N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide is CCCN(C)c1ccc(C(=O)NCc2ccccc2CO)cc1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide?
The InChIKey is FBSAAYZJQFIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-12-21(2)18-10-8-15(9-11-18)19(23)20-13-16-6-4-5-7-17(16)14-22/h4-11,22H,3,12-14H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide has a molecular weight of 312.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide is sourced from PubChem (CID 110909622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).