N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide

C20H20N4O3 — CID 8979050

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H20N4O3/c1-26-18-9-5-6-10-19(18)27-15-20(25)23-21-11-17-12-22-24(14-17)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,25)/b21-11-
InChIKeyCUMWVWSYNREWFO-NHDPSOOVSA-N
MW364.41 g/mol
LogP2.47
Rot. Bonds8

About N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 8979050) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
PubChem CID8979050
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H20N4O3/c1-26-18-9-5-6-10-19(18)27-15-20(25)23-21-11-17-12-22-24(14-17)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,25)/b21-11-
InChIKeyCUMWVWSYNREWFO-NHDPSOOVSA-N
XLogP2.47
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 8979035
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 8979040
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 8980345
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 8981368
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 8981663
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 7602026
(2S)-N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2,3-dimethylphenoxy)propanamide
CID 8980999
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745
[4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4249598
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide (CID 8979050) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N/N=C\c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is CUMWVWSYNREWFO-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-18-9-5-6-10-19(18)27-15-20(25)23-21-11-17-12-22-24(14-17)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,25)/b21-11-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 8979050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).