2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide

C34H32N4O4 — CID 6309317

IUPAC2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
SMILESCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C34H32N4O4/c1-2-21-40-30-15-13-27(14-16-30)34-28(23-38(37-34)29-11-7-4-8-12-29)22-35-36-33(39)25-42-32-19-17-31(18-20-32)41-24-26-9-5-3-6-10-26/h3-20,22-23H,2,21,24-25H2,1H3,(H,36,39)/b35-22-
InChIKeyJGTMCUIQUNDXMY-QHDYCIAZSA-N
MW560.65 g/mol
LogP6.44
Rot. Bonds13

About 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide

2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide (PubChem CID 6309317) has the molecular formula C34H32N4O4 and a molecular weight of 560.65 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
PubChem CID6309317
Molecular FormulaC34H32N4O4
Molecular Weight560.65 g/mol
Exact Mass560.24
IUPAC Name2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
SMILESCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C34H32N4O4/c1-2-21-40-30-15-13-27(14-16-30)34-28(23-38(37-34)29-11-7-4-8-12-29)22-35-36-33(39)25-42-32-19-17-31(18-20-32)41-24-26-9-5-3-6-10-26/h3-20,22-23H,2,21,24-25H2,1H3,(H,36,39)/b35-22-
InChIKeyJGTMCUIQUNDXMY-QHDYCIAZSA-N
XLogP6.44
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 56.44
H-Bond Donors ≤ 51
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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Related Compounds

2-phenoxy-N-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4232503
2-(4-ethylphenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4123323
2-(3-chlorophenoxy)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 4276530
4-[(4-methylphenyl)methoxy]-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 45055061
N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]tetradecanamide
CID 3725202
4-methyl-N-[2-oxo-2-[(2Z)-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide
CID 6271933
1-ethyl-3-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea
CID 4064501
2-iodo-N-[2-oxo-2-[2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]hydrazinyl]ethyl]benzamide
CID 4657815
N-[2-[(2Z)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 124541152
3-methyl-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6249243
3-bromo-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6022091
2-iodo-N-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 3264542

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide (CID 6309317) is 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide is CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide?
The InChIKey is JGTMCUIQUNDXMY-QHDYCIAZSA-N. The full InChI is InChI=1S/C34H32N4O4/c1-2-21-40-30-15-13-27(14-16-30)34-28(23-38(37-34)29-11-7-4-8-12-29)22-35-36-33(39)25-42-32-19-17-31(18-20-32)41-24-26-9-5-3-6-10-26/h3-20,22-23H,2,21,24-25H2,1H3,(H,36,39)/b35-22-.
What are the key properties of 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide?
2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide has a molecular weight of 560.65 g/mol, XLogP of 6.44, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenoxy)-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide is sourced from PubChem (CID 6309317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).