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

C21H26N4O2 — CID 110601100

IUPACN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
SMILESCN1CCN(c2ccc(NC(=O)CNC(=O)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N4O2/c1-24-11-13-25(14-12-24)19-9-7-18(8-10-19)23-21(27)16-22-20(26)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyRPDVHCUSCYJLHL-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.74
Rot. Bonds6

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

N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 110601100) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
PubChem CID110601100
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
SMILESCN1CCN(c2ccc(NC(=O)CNC(=O)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N4O2/c1-24-11-13-25(14-12-24)19-9-7-18(8-10-19)23-21(27)16-22-20(26)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyRPDVHCUSCYJLHL-UHFFFAOYSA-N
XLogP1.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.74
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-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
CID 110601093
3-(4-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]propanamide
CID 110615443
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-3-ylmethylamino)acetamide
CID 108999433

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide (CID 110601100) is N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide is CN1CCN(c2ccc(NC(=O)CNC(=O)Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is RPDVHCUSCYJLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24-11-13-25(14-12-24)19-9-7-18(8-10-19)23-21(27)16-22-20(26)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 366.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 110601100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).