N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C20H21N3O2 — CID 8950361

IUPACN-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c1-16-8-6-7-11-19(16)25-15-20(24)22(2)13-17-12-21-23(14-17)18-9-4-3-5-10-18/h3-12,14H,13,15H2,1-2H3
InChIKeyIKKKXPFTNCDOJN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 8950361) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID8950361
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c1-16-8-6-7-11-19(16)25-15-20(24)22(2)13-17-12-21-23(14-17)18-9-4-3-5-10-18/h3-12,14H,13,15H2,1-2H3
InChIKeyIKKKXPFTNCDOJN-UHFFFAOYSA-N
XLogP3.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 70764529
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950432
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 18127668
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134039417
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 8950361) is N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is Cc1ccccc1OCC(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is IKKKXPFTNCDOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-16-8-6-7-11-19(16)25-15-20(24)22(2)13-17-12-21-23(14-17)18-9-4-3-5-10-18/h3-12,14H,13,15H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 8950361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).