N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide

C21H28N4O2 — CID 108998649

IUPACN-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C21H28N4O2/c1-24-11-13-25(14-12-24)19-7-5-18(6-8-19)22-16-21(26)23-15-17-3-9-20(27-2)10-4-17/h3-10,22H,11-16H2,1-2H3,(H,23,26)
InChIKeyVOVZZGXKANWNBU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.18
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide

N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide (PubChem CID 108998649) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
PubChem CID108998649
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C21H28N4O2/c1-24-11-13-25(14-12-24)19-7-5-18(6-8-19)22-16-21(26)23-15-17-3-9-20(27-2)10-4-17/h3-10,22H,11-16H2,1-2H3,(H,23,26)
InChIKeyVOVZZGXKANWNBU-UHFFFAOYSA-N
XLogP2.18
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109003193
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54835007
methyl 4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010179
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54836212
2,6-dimethoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 94249254
2-(4-methylphenyl)sulfanyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 99970874
4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 18285766
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide (CID 108998649) is N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide is COc1ccc(CNC(=O)CNc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
The InChIKey is VOVZZGXKANWNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24-11-13-25(14-12-24)19-7-5-18(6-8-19)22-16-21(26)23-15-17-3-9-20(27-2)10-4-17/h3-10,22H,11-16H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide is sourced from PubChem (CID 108998649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).