2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide

C23H30N4O2 — CID 113177424

IUPAC2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(N2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N4O2/c1-4-26(21-8-6-5-7-9-21)23(29)18-27(19(2)28)22-12-10-20(11-13-22)25-16-14-24(3)15-17-25/h5-13H,4,14-18H2,1-3H3
InChIKeyMVKJQHPFISHGSM-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.84
Rot. Bonds6

About 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide

2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide (PubChem CID 113177424) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
PubChem CID113177424
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(N2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C23H30N4O2/c1-4-26(21-8-6-5-7-9-21)23(29)18-27(19(2)28)22-12-10-20(11-13-22)25-16-14-24(3)15-17-25/h5-13H,4,14-18H2,1-3H3
InChIKeyMVKJQHPFISHGSM-UHFFFAOYSA-N
XLogP2.84
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.84
H-Bond Donors ≤ 50
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-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]propanoic acid
CID 82320447
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113177382
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113062527
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113177407
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
CID 113177416

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide (CID 113177424) is 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(C(C)=O)c1ccc(N2CCN(C)CC2)cc1)c1ccccc1.
What is the InChIKey of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide?
The InChIKey is MVKJQHPFISHGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-26(21-8-6-5-7-9-21)23(29)18-27(19(2)28)22-12-10-20(11-13-22)25-16-14-24(3)15-17-25/h5-13H,4,14-18H2,1-3H3.
What are the key properties of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide?
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113177424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).