4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide

C25H34N4O2 — CID 134016340

IUPAC4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)C(C)C)cc1
InChIInChI=1S/C25H34N4O2/c1-17(2)23(27-24(30)20-8-6-18(3)7-9-20)25(31)26-21-10-11-22(19(4)16-21)29-14-12-28(5)13-15-29/h6-11,16-17,23H,12-15H2,1-5H3,(H,26,31)(H,27,30)
InChIKeyCEIVAPVXSPPQNE-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.45
Rot. Bonds6

About 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide

4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide (PubChem CID 134016340) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
PubChem CID134016340
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)C(C)C)cc1
InChIInChI=1S/C25H34N4O2/c1-17(2)23(27-24(30)20-8-6-18(3)7-9-20)25(31)26-21-10-11-22(19(4)16-21)29-14-12-28(5)13-15-29/h6-11,16-17,23H,12-15H2,1-5H3,(H,26,31)(H,27,30)
InChIKeyCEIVAPVXSPPQNE-UHFFFAOYSA-N
XLogP3.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxopentan-2-yl]benzamide
CID 134016338
N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 134016359
3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 134016392
(2R)-2-(methanesulfonamido)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95034477
2-(methanesulfonamido)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 47928009
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
N-[1-(3-iodoanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112789190
2-methyl-4-[[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 119240343
N-[1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55435428
(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 94797180
N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55457161
N-[(2S)-1-(3-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7610613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide (CID 134016340) is 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide is Cc1ccc(C(=O)NC(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide?
The InChIKey is CEIVAPVXSPPQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17(2)23(27-24(30)20-8-6-18(3)7-9-20)25(31)26-21-10-11-22(19(4)16-21)29-14-12-28(5)13-15-29/h6-11,16-17,23H,12-15H2,1-5H3,(H,26,31)(H,27,30).
What are the key properties of 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide?
4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide has a molecular weight of 422.57 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 134016340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).