3,5-bis[(dimethylamino)methyl]benzamide

C13H21N3O — CID 101488535

IUPAC3,5-bis[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1cc(CN(C)C)cc(C(N)=O)c1
InChIInChI=1S/C13H21N3O/c1-15(2)8-10-5-11(9-16(3)4)7-12(6-10)13(14)17/h5-7H,8-9H2,1-4H3,(H2,14,17)
InChIKeyJWFFNIHZEFJHQQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.91
Rot. Bonds5

About 3,5-bis[(dimethylamino)methyl]benzamide

3,5-bis[(dimethylamino)methyl]benzamide (PubChem CID 101488535) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,5-bis[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound Name3,5-bis[(dimethylamino)methyl]benzamide
PubChem CID101488535
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3,5-bis[(dimethylamino)methyl]benzamide
SMILESCN(C)Cc1cc(CN(C)C)cc(C(N)=O)c1
InChIInChI=1S/C13H21N3O/c1-15(2)8-10-5-11(9-16(3)4)7-12(6-10)13(14)17/h5-7H,8-9H2,1-4H3,(H2,14,17)
InChIKeyJWFFNIHZEFJHQQ-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 67196676
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide
CID 67802565
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
CID 122479981
lithium 3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzoate
CID 59439423
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
N-[3-amino-5-[(dimethylamino)methyl]phenyl]acetamide
CID 67081001
1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
CID 58256831
3-(dihydroxyamino)-5-(hydroxymethyl)benzamide
CID 89337174
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(dimethylamino)methyl]benzamide?
The IUPAC name of 3,5-bis[(dimethylamino)methyl]benzamide (CID 101488535) is 3,5-bis[(dimethylamino)methyl]benzamide.
What is the SMILES notation for 3,5-bis[(dimethylamino)methyl]benzamide?
The canonical SMILES for 3,5-bis[(dimethylamino)methyl]benzamide is CN(C)Cc1cc(CN(C)C)cc(C(N)=O)c1.
What is the InChIKey of 3,5-bis[(dimethylamino)methyl]benzamide?
The InChIKey is JWFFNIHZEFJHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)8-10-5-11(9-16(3)4)7-12(6-10)13(14)17/h5-7H,8-9H2,1-4H3,(H2,14,17).
What are the key properties of 3,5-bis[(dimethylamino)methyl]benzamide?
3,5-bis[(dimethylamino)methyl]benzamide has a molecular weight of 235.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 101488535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).