2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C23H30N4O2 — CID 113162094

IUPAC2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(C)c1ccccc1
InChIInChI=1S/C23H30N4O2/c1-18(20-7-5-4-6-8-20)27(19(2)28)17-23(29)24-21-9-11-22(12-10-21)26-15-13-25(3)14-16-26/h4-12,18H,13-17H2,1-3H3,(H,24,29)
InChIKeyCQPAYOKAVMKFPF-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.99
Rot. Bonds6

About 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 113162094) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID113162094
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(C)c1ccccc1
InChIInChI=1S/C23H30N4O2/c1-18(20-7-5-4-6-8-20)27(19(2)28)17-23(29)24-21-9-11-22(12-10-21)26-15-13-25(3)14-16-26/h4-12,18H,13-17H2,1-3H3,(H,24,29)
InChIKeyCQPAYOKAVMKFPF-UHFFFAOYSA-N
XLogP2.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
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

2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113162089
2-(N-acetyl-2-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113167414
2-[acetyl(1-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113162035
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280050
2-[acetyl(1-phenylethyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113162117
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpentanamide
CID 39911400
2-[butyl(methyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006156
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148588
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 113162094) is 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(C)c1ccccc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is CQPAYOKAVMKFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18(20-7-5-4-6-8-20)27(19(2)28)17-23(29)24-21-9-11-22(12-10-21)26-15-13-25(3)14-16-26/h4-12,18H,13-17H2,1-3H3,(H,24,29).
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113162094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).