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

C25H22N4O2 — CID 8979040

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C25H22N4O2/c30-25(19-31-24-14-8-7-13-23(24)22-11-5-2-6-12-22)28-26-15-21-16-27-29(18-21)17-20-9-3-1-4-10-20/h1-16,18H,17,19H2,(H,28,30)/b26-15-
InChIKeyHSQQWXPZWRQVEU-YSMPRRRNSA-N
MW410.48 g/mol
LogP4.13
Rot. Bonds8

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

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide (PubChem CID 8979040) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
PubChem CID8979040
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)N/N=C\c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C25H22N4O2/c30-25(19-31-24-14-8-7-13-23(24)22-11-5-2-6-12-22)28-26-15-21-16-27-29(18-21)17-20-9-3-1-4-10-20/h1-16,18H,17,19H2,(H,28,30)/b26-15-
InChIKeyHSQQWXPZWRQVEU-YSMPRRRNSA-N
XLogP4.13
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenoxy)acetamide
CID 8979050
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 8980345
N-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 922567
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135603269
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 8979934
2-(2-phenylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 922521
2-[2-[[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1244956
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
CID 8982077
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 6123716
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide (CID 8979040) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)N/N=C\c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The InChIKey is HSQQWXPZWRQVEU-YSMPRRRNSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-25(19-31-24-14-8-7-13-23(24)22-11-5-2-6-12-22)28-26-15-21-16-27-29(18-21)17-20-9-3-1-4-10-20/h1-16,18H,17,19H2,(H,28,30)/b26-15-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide has a molecular weight of 410.48 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 8979040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).