4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide

C19H23N3O2 — CID 8900899

IUPAC4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-21(2)19(24)16-9-11-17(12-10-16)20-18(23)14-22(3)13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,23)
InChIKeyDBPBTXBRFPGEEB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.46
Rot. Bonds6

About 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 8900899) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID8900899
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-21(2)19(24)16-9-11-17(12-10-16)20-18(23)14-22(3)13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,23)
InChIKeyDBPBTXBRFPGEEB-UHFFFAOYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 27133835
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
4-[[3-[[2-(4-benzylanilino)-2-oxoethyl]-methylamino]propyl-methylamino]methyl]benzoic acid
CID 44567704
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8802932
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 8900913
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide (CID 8900899) is 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide is CN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1.
What is the InChIKey of 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is DBPBTXBRFPGEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)19(24)16-9-11-17(12-10-16)20-18(23)14-22(3)13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,23).
What are the key properties of 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 8900899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).