N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C20H20N4O3 — CID 46473158

IUPACN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCNC(=O)COc1cccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C20H20N4O3/c1-21-20(26)14-27-18-5-2-4-16(13-18)23-19(25)12-15-6-8-17(9-7-15)24-11-3-10-22-24/h2-11,13H,12,14H2,1H3,(H,21,26)(H,23,25)
InChIKeyFEPJZQVHXSJWQO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.18
Rot. Bonds7

About N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 46473158) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID46473158
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCNC(=O)COc1cccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C20H20N4O3/c1-21-20(26)14-27-18-5-2-4-16(13-18)23-19(25)12-15-6-8-17(9-7-15)24-11-3-10-22-24/h2-11,13H,12,14H2,1H3,(H,21,26)(H,23,25)
InChIKeyFEPJZQVHXSJWQO-UHFFFAOYSA-N
XLogP2.18
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
2-(1H-indol-3-yl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 38738127
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 47063106
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
N-(3-acetamido-4-chlorophenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86845072
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55836595
2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365218
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
3-hydroxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-2-carboxamide
CID 51105835

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 46473158) is N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide is CNC(=O)COc1cccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is FEPJZQVHXSJWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-21-20(26)14-27-18-5-2-4-16(13-18)23-19(25)12-15-6-8-17(9-7-15)24-11-3-10-22-24/h2-11,13H,12,14H2,1H3,(H,21,26)(H,23,25).
What are the key properties of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 46473158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).