N-tert-butyl-4-[(dimethylamino)methyl]benzamide

C14H22N2O — CID 60699335

IUPACN-tert-butyl-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)15-13(17)12-8-6-11(7-9-12)10-16(4)5/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyJEBFNJDXXDNHFY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.28
Rot. Bonds3

About N-tert-butyl-4-[(dimethylamino)methyl]benzamide

N-tert-butyl-4-[(dimethylamino)methyl]benzamide (PubChem CID 60699335) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-tert-butyl-4-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(dimethylamino)methyl]benzamide
PubChem CID60699335
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-tert-butyl-4-[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)15-13(17)12-8-6-11(7-9-12)10-16(4)5/h6-9H,10H2,1-5H3,(H,15,17)
InChIKeyJEBFNJDXXDNHFY-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825036
4-(2-amino-2-sulfanylideneethyl)-N-tert-butylbenzamide
CID 82178859
N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282591
N-tert-butyl-4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53287371
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(dimethylamino)methyl]benzamide
CID 89047890
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(dimethylamino)methyl]benzamide (CID 60699335) is N-tert-butyl-4-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(dimethylamino)methyl]benzamide is CN(C)Cc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[(dimethylamino)methyl]benzamide?
The InChIKey is JEBFNJDXXDNHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)15-13(17)12-8-6-11(7-9-12)10-16(4)5/h6-9H,10H2,1-5H3,(H,15,17).
What are the key properties of N-tert-butyl-4-[(dimethylamino)methyl]benzamide?
N-tert-butyl-4-[(dimethylamino)methyl]benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 60699335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).