4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide

C22H30N4O — CID 36565155

IUPAC4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)c(C)c2)CC1
InChIInChI=1S/C22H30N4O/c1-5-25-12-14-26(15-13-25)20-10-11-21(17(2)16-20)23-22(27)18-6-8-19(9-7-18)24(3)4/h6-11,16H,5,12-15H2,1-4H3,(H,23,27)
InChIKeyQGLNTIBERLAVBH-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.46
Rot. Bonds5

About 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide

4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide (PubChem CID 36565155) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
PubChem CID36565155
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)c(C)c2)CC1
InChIInChI=1S/C22H30N4O/c1-5-25-12-14-26(15-13-25)20-10-11-21(17(2)16-20)23-22(27)18-6-8-19(9-7-18)24(3)4/h6-11,16H,5,12-15H2,1-4H3,(H,23,27)
InChIKeyQGLNTIBERLAVBH-UHFFFAOYSA-N
XLogP3.46
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
4-(difluoromethylsulfonyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 34193952
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774
2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide
CID 55731125
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 46404460
3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-methoxybenzamide
CID 36564372
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 36566710
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 36565346
4-[(E)-3-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55560107
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide (CID 36565155) is 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide is CCN1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)c(C)c2)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide?
The InChIKey is QGLNTIBERLAVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-25-12-14-26(15-13-25)20-10-11-21(17(2)16-20)23-22(27)18-6-8-19(9-7-18)24(3)4/h6-11,16H,5,12-15H2,1-4H3,(H,23,27).
What are the key properties of 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide?
4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 36565155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).