2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide

C17H24N4O2 — CID 171979285

IUPAC2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide
SMILESC/C(CC(=O)N1CCN(C)CC1)=N\NC(=O)c1ccccc1C
InChIInChI=1S/C17H24N4O2/c1-13-6-4-5-7-15(13)17(23)19-18-14(2)12-16(22)21-10-8-20(3)9-11-21/h4-7H,8-12H2,1-3H3,(H,19,23)/b18-14+
InChIKeySGSDNEDWYGSCHR-NBVRZTHBSA-N
MW316.40 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide

2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide (PubChem CID 171979285) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide
PubChem CID171979285
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide
SMILESC/C(CC(=O)N1CCN(C)CC1)=N\NC(=O)c1ccccc1C
InChIInChI=1S/C17H24N4O2/c1-13-6-4-5-7-15(13)17(23)19-18-14(2)12-16(22)21-10-8-20(3)9-11-21/h4-7H,8-12H2,1-3H3,(H,19,23)/b18-14+
InChIKeySGSDNEDWYGSCHR-NBVRZTHBSA-N
XLogP1.26
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide
CID 46501812
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
2-methyl-N-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
CID 56693956
N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944390
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
ethyl 3-[4-(2-methylbenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 58032917
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944341
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2-methyl-N-[(E)-[3-methyl-2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19155621
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzoic acid
CID 66545464
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide (CID 171979285) is 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide is C/C(CC(=O)N1CCN(C)CC1)=N\NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide?
The InChIKey is SGSDNEDWYGSCHR-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-6-4-5-7-15(13)17(23)19-18-14(2)12-16(22)21-10-8-20(3)9-11-21/h4-7H,8-12H2,1-3H3,(H,19,23)/b18-14+.
What are the key properties of 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide?
2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-[4-(4-methylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]benzamide is sourced from PubChem (CID 171979285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).