N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C23H25N3O3 — CID 38760499

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccccc2-n2nc(C)cc2C)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-5-8-18-11-12-21(22(14-18)28-4)29-15-23(27)24-19-9-6-7-10-20(19)26-17(3)13-16(2)25-26/h5-7,9-14H,1,8,15H2,2-4H3,(H,24,27)
InChIKeyPCYNWOGWIWTHDQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.24
Rot. Bonds8

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 38760499) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID38760499
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2ccccc2-n2nc(C)cc2C)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-5-8-18-11-12-21(22(14-18)28-4)29-15-23(27)24-19-9-6-7-10-20(19)26-17(3)13-16(2)25-26/h5-7,9-14H,1,8,15H2,2-4H3,(H,24,27)
InChIKeyPCYNWOGWIWTHDQ-UHFFFAOYSA-N
XLogP4.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
methyl 4,5-dimethoxy-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzoate
CID 26176842
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 43074030
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
2-[ethyl-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]-N-(2-methoxyphenyl)acetamide
CID 38798639
N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 47005052
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78799662
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 38760499) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)Nc2ccccc2-n2nc(C)cc2C)c(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is PCYNWOGWIWTHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-5-8-18-11-12-21(22(14-18)28-4)29-15-23(27)24-19-9-6-7-10-20(19)26-17(3)13-16(2)25-26/h5-7,9-14H,1,8,15H2,2-4H3,(H,24,27).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 38760499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).