N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide

C23H32N4O — CID 109008238

IUPACN-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
SMILESCN1CCN(c2ccc(NCC(=O)Nc3ccccc3C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H32N4O/c1-23(2,3)20-7-5-6-8-21(20)25-22(28)17-24-18-9-11-19(12-10-18)27-15-13-26(4)14-16-27/h5-12,24H,13-17H2,1-4H3,(H,25,28)
InChIKeyHGIVFCUINFDMFS-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.79
Rot. Bonds5

About N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide

N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide (PubChem CID 109008238) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
PubChem CID109008238
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
SMILESCN1CCN(c2ccc(NCC(=O)Nc3ccccc3C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H32N4O/c1-23(2,3)20-7-5-6-8-21(20)25-22(28)17-24-18-9-11-19(12-10-18)27-15-13-26(4)14-16-27/h5-12,24H,13-17H2,1-4H3,(H,25,28)
InChIKeyHGIVFCUINFDMFS-UHFFFAOYSA-N
XLogP3.79
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.79
H-Bond Donors ≤ 52
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

N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
N'-(2-tert-butylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527589
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
2-(4-acetylanilino)-N-(2-tert-butylphenyl)acetamide
CID 30534468
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
methyl 4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010179
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682
N-(3-chloro-4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008673
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide (CID 109008238) is N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide is CN1CCN(c2ccc(NCC(=O)Nc3ccccc3C(C)(C)C)cc2)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The InChIKey is HGIVFCUINFDMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-23(2,3)20-7-5-6-8-21(20)25-22(28)17-24-18-9-11-19(12-10-18)27-15-13-26(4)14-16-27/h5-12,24H,13-17H2,1-4H3,(H,25,28).
What are the key properties of N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide has a molecular weight of 380.54 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide is sourced from PubChem (CID 109008238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).