2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide

C19H19N7O5 — CID 6867501

IUPAC2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(-n3cnnn3)cc2)ccc1OCC(N)=O
InChIInChI=1S/C19H19N7O5/c1-29-17-8-13(2-7-16(17)31-10-18(20)27)9-21-23-19(28)11-30-15-5-3-14(4-6-15)26-12-22-24-25-26/h2-9,12H,10-11H2,1H3,(H2,20,27)(H,23,28)/b21-9+
InChIKeyUBLZNOAAZYQILL-ZVBGSRNCSA-N
MW425.41 g/mol
LogP0.06
Rot. Bonds10

About 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide

2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 6867501) has the molecular formula C19H19N7O5 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID6867501
Molecular FormulaC19H19N7O5
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc(-n3cnnn3)cc2)ccc1OCC(N)=O
InChIInChI=1S/C19H19N7O5/c1-29-17-8-13(2-7-16(17)31-10-18(20)27)9-21-23-19(28)11-30-15-5-3-14(4-6-15)26-12-22-24-25-26/h2-9,12H,10-11H2,1H3,(H2,20,27)(H,23,28)/b21-9+
InChIKeyUBLZNOAAZYQILL-ZVBGSRNCSA-N
XLogP0.06
TPSA155.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide (CID 6867501) is 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide is COc1cc(/C=N/NC(=O)COc2ccc(-n3cnnn3)cc2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is UBLZNOAAZYQILL-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H19N7O5/c1-29-17-8-13(2-7-16(17)31-10-18(20)27)9-21-23-19(28)11-30-15-5-3-14(4-6-15)26-12-22-24-25-26/h2-9,12H,10-11H2,1H3,(H2,20,27)(H,23,28)/b21-9+.
What are the key properties of 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide?
2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 425.41 g/mol, XLogP of 0.06, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 6867501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).