N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

C26H28N6O2 — CID 135599779

IUPACN-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc(/N=N/C(=N\NC(=O)CN2CCN(c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28N6O2/c1-34-24-14-12-22(13-15-24)27-29-26(21-8-4-2-5-9-21)30-28-25(33)20-31-16-18-32(19-17-31)23-10-6-3-7-11-23/h2-15H,16-20H2,1H3,(H,28,33)/b29-27+,30-26-
InChIKeyILGWSFSRUNQBOV-DNSJDFCASA-N
MW456.55 g/mol
LogP4.08
Rot. Bonds7

About N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 135599779) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID135599779
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc(/N=N/C(=N\NC(=O)CN2CCN(c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28N6O2/c1-34-24-14-12-22(13-15-24)27-29-26(21-8-4-2-5-9-21)30-28-25(33)20-31-16-18-32(19-17-31)23-10-6-3-7-11-23/h2-15H,16-20H2,1H3,(H,28,33)/b29-27+,30-26-
InChIKeyILGWSFSRUNQBOV-DNSJDFCASA-N
XLogP4.08
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (CID 135599779) is N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is COc1ccc(/N=N/C(=N\NC(=O)CN2CCN(c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is ILGWSFSRUNQBOV-DNSJDFCASA-N. The full InChI is InChI=1S/C26H28N6O2/c1-34-24-14-12-22(13-15-24)27-29-26(21-8-4-2-5-9-21)30-28-25(33)20-31-16-18-32(19-17-31)23-10-6-3-7-11-23/h2-15H,16-20H2,1H3,(H,28,33)/b29-27+,30-26-.
What are the key properties of N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 456.55 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135599779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).