3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

C17H20N2O2 — CID 107231911

IUPAC3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-19(2)16-5-3-4-15(10-16)17(21)18-11-13-6-8-14(12-20)9-7-13/h3-10,20H,11-12H2,1-2H3,(H,18,21)
InChIKeyYLKMRMLLHNGVHS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.17
Rot. Bonds5

About 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide

3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 107231911) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID107231911
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2ccc(CO)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-19(2)16-5-3-4-15(10-16)17(21)18-11-13-6-8-14(12-20)9-7-13/h3-10,20H,11-12H2,1-2H3,(H,18,21)
InChIKeyYLKMRMLLHNGVHS-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 79993469
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
3-(dimethylamino)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110742450

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide (CID 107231911) is 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is CN(C)c1cccc(C(=O)NCc2ccc(CO)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is YLKMRMLLHNGVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(2)16-5-3-4-15(10-16)17(21)18-11-13-6-8-14(12-20)9-7-13/h3-10,20H,11-12H2,1-2H3,(H,18,21).
What are the key properties of 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide?
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107231911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).