N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide

C25H34N4O — CID 1390261

IUPACN-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)NN=Cc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H34N4O/c1-20-5-7-22(8-6-20)18-28-13-15-29(16-14-28)19-24(30)27-26-17-21-9-11-23(12-10-21)25(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,27,30)
InChIKeyHITQPMUMZHTSPR-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.56
Rot. Bonds6

About N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide

N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 1390261) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID1390261
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)NN=Cc3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H34N4O/c1-20-5-7-22(8-6-20)18-28-13-15-29(16-14-28)19-24(30)27-26-17-21-9-11-23(12-10-21)25(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,27,30)
InChIKeyHITQPMUMZHTSPR-UHFFFAOYSA-N
XLogP3.56
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.56
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-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 6885049
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 135538879
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 3826307
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
[2,6-dimethoxy-4-[(Z)-[[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 6008456
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
CID 1383029
N-(1H-indol-3-ylmethylideneamino)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1391069
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51224084

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 1390261) is N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is Cc1ccc(CN2CCN(CC(=O)NN=Cc3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is HITQPMUMZHTSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-20-5-7-22(8-6-20)18-28-13-15-29(16-14-28)19-24(30)27-26-17-21-9-11-23(12-10-21)25(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,27,30).
What are the key properties of N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1390261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).