N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide

C25H34N4O3 — CID 57197993

IUPACN-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCN1CCN(CC(=O)N(c2ccccc2)c2ccc(C(=O)N(C)OC(C)(C)C)cc2)CC1
InChIInChI=1S/C25H34N4O3/c1-25(2,3)32-27(5)24(31)20-11-13-22(14-12-20)29(21-9-7-6-8-10-21)23(30)19-28-17-15-26(4)16-18-28/h6-14H,15-19H2,1-5H3
InChIKeyGWYNPDWQNHXURI-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide

N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 57197993) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID57197993
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCN1CCN(CC(=O)N(c2ccccc2)c2ccc(C(=O)N(C)OC(C)(C)C)cc2)CC1
InChIInChI=1S/C25H34N4O3/c1-25(2,3)32-27(5)24(31)20-11-13-22(14-12-20)29(21-9-7-6-8-10-21)23(30)19-28-17-15-26(4)16-18-28/h6-14H,15-19H2,1-5H3
InChIKeyGWYNPDWQNHXURI-UHFFFAOYSA-N
XLogP3.40
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70061638
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70321883
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide
CID 145030171
N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
CID 90462307
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide
CID 143117973
1-methyl-4-[2-oxo-2-(N-phenylanilino)ethyl]piperidine-4-carboxylic acid
CID 170414123
benzoic acid;1,4-dimethylpiperazine
CID 166460840
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 57197993) is N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide is CN1CCN(CC(=O)N(c2ccccc2)c2ccc(C(=O)N(C)OC(C)(C)C)cc2)CC1.
What is the InChIKey of N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is GWYNPDWQNHXURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-25(2,3)32-27(5)24(31)20-11-13-22(14-12-20)29(21-9-7-6-8-10-21)23(30)19-28-17-15-26(4)16-18-28/h6-14H,15-19H2,1-5H3.
What are the key properties of N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide?
N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 438.57 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 57197993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).