3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

C21H28N4O2 — CID 109039569

IUPAC3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCOc1cccc(NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H28N4O2/c1-24-12-14-25(15-13-24)19-8-6-17(7-9-19)23-21(26)10-11-22-18-4-3-5-20(16-18)27-2/h3-9,16,22H,10-15H2,1-2H3,(H,23,26)
InChIKeyAHEQHUXPINWXHL-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.89
Rot. Bonds7

About 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 109039569) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID109039569
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCOc1cccc(NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H28N4O2/c1-24-12-14-25(15-13-24)19-8-6-17(7-9-19)23-21(26)10-11-22-18-4-3-5-20(16-18)27-2/h3-9,16,22H,10-15H2,1-2H3,(H,23,26)
InChIKeyAHEQHUXPINWXHL-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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

1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
methyl 3-[3-[4-(4-methylpiperazin-1-yl)anilino]propanoylamino]benzoate
CID 109041389
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
N-(3-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109040894
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563
3-(1,3-benzodioxol-5-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041927
methyl 3-[[3-oxo-3-(4-pyrrolidin-1-ylanilino)propyl]amino]benzoate
CID 109041429
methyl 2-[[3-[4-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]amino]benzoate
CID 109041344
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 109039569) is 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is COc1cccc(NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is AHEQHUXPINWXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24-12-14-25(15-13-24)19-8-6-17(7-9-19)23-21(26)10-11-22-18-4-3-5-20(16-18)27-2/h3-9,16,22H,10-15H2,1-2H3,(H,23,26).
What are the key properties of 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 109039569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).