N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

C21H26N4O4 — CID 73346082

IUPACN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN2CCN(c3ccccc3OC)CC2)cc1O
InChIInChI=1S/C21H26N4O4/c1-28-19-6-4-3-5-17(19)25-11-9-24(10-12-25)15-21(27)23-22-14-16-7-8-20(29-2)18(26)13-16/h3-8,13-14,26H,9-12,15H2,1-2H3,(H,23,27)/b22-14-
InChIKeyUCALXPDVSZSWOK-HMAPJEAMSA-N
MW398.46 g/mol
LogP1.68
Rot. Bonds7

About N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 73346082) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID73346082
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN2CCN(c3ccccc3OC)CC2)cc1O
InChIInChI=1S/C21H26N4O4/c1-28-19-6-4-3-5-17(19)25-11-9-24(10-12-25)15-21(27)23-22-14-16-7-8-20(29-2)18(26)13-16/h3-8,13-14,26H,9-12,15H2,1-2H3,(H,23,27)/b22-14-
InChIKeyUCALXPDVSZSWOK-HMAPJEAMSA-N
XLogP1.68
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 73346082) is N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(/C=N\NC(=O)CN2CCN(c3ccccc3OC)CC2)cc1O.
What is the InChIKey of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is UCALXPDVSZSWOK-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-19-6-4-3-5-17(19)25-11-9-24(10-12-25)15-21(27)23-22-14-16-7-8-20(29-2)18(26)13-16/h3-8,13-14,26H,9-12,15H2,1-2H3,(H,23,27)/b22-14-.
What are the key properties of N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 73346082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).