4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide

C16H18N2O2 — CID 60653502

IUPAC4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccccc2CO)cc1
InChIInChI=1S/C16H18N2O2/c1-18(2)14-9-7-12(8-10-14)16(20)17-15-6-4-3-5-13(15)11-19/h3-10,19H,11H2,1-2H3,(H,17,20)
InChIKeyMCULIQZIXFIUPO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.50
Rot. Bonds4

About 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide

4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide (PubChem CID 60653502) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
PubChem CID60653502
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccccc2CO)cc1
InChIInChI=1S/C16H18N2O2/c1-18(2)14-9-7-12(8-10-14)16(20)17-15-6-4-3-5-13(15)11-19/h3-10,19H,11H2,1-2H3,(H,17,20)
InChIKeyMCULIQZIXFIUPO-UHFFFAOYSA-N
XLogP2.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
N-[2-(1-chloroethyl)phenyl]-4-(dimethylamino)benzamide
CID 114304830
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745006
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]benzamide
CID 18672626

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide (CID 60653502) is 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2ccccc2CO)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide?
The InChIKey is MCULIQZIXFIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(2)14-9-7-12(8-10-14)16(20)17-15-6-4-3-5-13(15)11-19/h3-10,19H,11H2,1-2H3,(H,17,20).
What are the key properties of 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide?
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 60653502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).