N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide

C21H22N4O3 — CID 39041372

IUPACN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C21H22N4O3/c1-2-22-20(26)15-28-19-6-3-5-18(13-19)24-21(27)17-9-7-16(8-10-17)14-25-12-4-11-23-25/h3-13H,2,14-15H2,1H3,(H,22,26)(H,24,27)
InChIKeyRRMXAVCTCJVGON-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.70
Rot. Bonds8

About N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 39041372) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID39041372
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C21H22N4O3/c1-2-22-20(26)15-28-19-6-3-5-18(13-19)24-21(27)17-9-7-16(8-10-17)14-25-12-4-11-23-25/h3-13H,2,14-15H2,1H3,(H,22,26)(H,24,27)
InChIKeyRRMXAVCTCJVGON-UHFFFAOYSA-N
XLogP2.70
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209826
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277
4-tert-butyl-N-[2-[3-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 39042630
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 39041372) is N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide is CCNC(=O)COc1cccc(NC(=O)c2ccc(Cn3cccn3)cc2)c1.
What is the InChIKey of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is RRMXAVCTCJVGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-22-20(26)15-28-19-6-3-5-18(13-19)24-21(27)17-9-7-16(8-10-17)14-25-12-4-11-23-25/h3-13H,2,14-15H2,1H3,(H,22,26)(H,24,27).
What are the key properties of N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 39041372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).