N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C21H21N3O4 — CID 27054340

IUPACN-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H21N3O4/c1-13-19(14(2)24(3)23-13)20(25)21(26)22-15-9-11-16(12-10-15)28-18-8-6-5-7-17(18)27-4/h5-12H,1-4H3,(H,22,26)
InChIKeyBSKHFQKNPRCTNW-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.66
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 27054340) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID27054340
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H21N3O4/c1-13-19(14(2)24(3)23-13)20(25)21(26)22-15-9-11-16(12-10-15)28-18-8-6-5-7-17(18)27-4/h5-12H,1-4H3,(H,22,26)
InChIKeyBSKHFQKNPRCTNW-UHFFFAOYSA-N
XLogP3.66
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134061803
methyl 2-chloro-5-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoate
CID 134063107
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide
CID 17458643
N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 9182918
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 42009753
N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60589995
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52663080
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131900391

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 27054340) is N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is COc1ccccc1Oc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is BSKHFQKNPRCTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-19(14(2)24(3)23-13)20(25)21(26)22-15-9-11-16(12-10-15)28-18-8-6-5-7-17(18)27-4/h5-12H,1-4H3,(H,22,26).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 27054340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).