4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide

C20H25N3O2 — CID 51094891

IUPAC4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCN(C)c1ccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-5-22(3)18-12-10-17(11-13-18)20(25)23(4)14-15-6-8-16(9-7-15)19(24)21-2/h6-13H,5,14H2,1-4H3,(H,21,24)
InChIKeyPTKRBMHBGSDPOU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.77
Rot. Bonds6

About 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide

4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 51094891) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID51094891
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCN(C)c1ccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-5-22(3)18-12-10-17(11-13-18)20(25)23(4)14-15-6-8-16(9-7-15)19(24)21-2/h6-13H,5,14H2,1-4H3,(H,21,24)
InChIKeyPTKRBMHBGSDPOU-UHFFFAOYSA-N
XLogP2.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide
CID 24596146
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 26722330
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 8967371
N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-nitrobenzamide
CID 8964575
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 8965565
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-9H-fluorene-2-carboxamide
CID 38741293
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide (CID 51094891) is 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide is CCN(C)c1ccc(C(=O)N(C)Cc2ccc(C(=O)NC)cc2)cc1.
What is the InChIKey of 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is PTKRBMHBGSDPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-22(3)18-12-10-17(11-13-18)20(25)23(4)14-15-6-8-16(9-7-15)19(24)21-2/h6-13H,5,14H2,1-4H3,(H,21,24).
What are the key properties of 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 51094891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).