3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide

C17H19N3O2 — CID 32636517

IUPAC3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H19N3O2/c1-20(2)15-8-4-7-14(10-15)17(22)19-11-12-5-3-6-13(9-12)16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyVGLIRIPSQYHNJP-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.78
Rot. Bonds5

About 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide

3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide (PubChem CID 32636517) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
PubChem CID32636517
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C17H19N3O2/c1-20(2)15-8-4-7-14(10-15)17(22)19-11-12-5-3-6-13(9-12)16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyVGLIRIPSQYHNJP-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
CID 103706738
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
5-[[[3-(dimethylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 79993469

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide (CID 32636517) is 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide is CN(C)c1cccc(C(=O)NCc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide?
The InChIKey is VGLIRIPSQYHNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-20(2)15-8-4-7-14(10-15)17(22)19-11-12-5-3-6-13(9-12)16(18)21/h3-10H,11H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide?
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 32636517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).