N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide

C19H23N3O2 — CID 54815122

IUPACN,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)19(24)16-8-10-17(11-9-16)21-18(23)14-20-13-12-15-6-4-3-5-7-15/h3-11,20H,12-14H2,1-2H3,(H,21,23)
InChIKeyGGVINWVSLXRUBU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.16
Rot. Bonds7

About N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide

N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide (PubChem CID 54815122) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
PubChem CID54815122
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)19(24)16-8-10-17(11-9-16)21-18(23)14-20-13-12-15-6-4-3-5-7-15/h3-11,20H,12-14H2,1-2H3,(H,21,23)
InChIKeyGGVINWVSLXRUBU-UHFFFAOYSA-N
XLogP2.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825579
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 7043065
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54840725
N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54814878
N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide (CID 54815122) is N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CNCCc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide?
The InChIKey is GGVINWVSLXRUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)19(24)16-8-10-17(11-9-16)21-18(23)14-20-13-12-15-6-4-3-5-7-15/h3-11,20H,12-14H2,1-2H3,(H,21,23).
What are the key properties of N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54815122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).