2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide

C14H16N4O3 — CID 106217638

IUPAC2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide
SMILESCC(NC(=O)COc1ccccc1C(N)=O)c1cn[nH]c1
InChIInChI=1S/C14H16N4O3/c1-9(10-6-16-17-7-10)18-13(19)8-21-12-5-3-2-4-11(12)14(15)20/h2-7,9H,8H2,1H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyTUFJCSRQIQAQOJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.76
Rot. Bonds6

About 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide

2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide (PubChem CID 106217638) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide
PubChem CID106217638
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide
SMILESCC(NC(=O)COc1ccccc1C(N)=O)c1cn[nH]c1
InChIInChI=1S/C14H16N4O3/c1-9(10-6-16-17-7-10)18-13(19)8-21-12-5-3-2-4-11(12)14(15)20/h2-7,9H,8H2,1H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyTUFJCSRQIQAQOJ-UHFFFAOYSA-N
XLogP0.76
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 7283926
2-(4-carbamothioylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106217451
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 9090585
3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856001
2-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]benzamide
CID 43426354
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856270

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide?
The IUPAC name of 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide (CID 106217638) is 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide.
What is the SMILES notation for 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide?
The canonical SMILES for 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide is CC(NC(=O)COc1ccccc1C(N)=O)c1cn[nH]c1.
What is the InChIKey of 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide?
The InChIKey is TUFJCSRQIQAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9(10-6-16-17-7-10)18-13(19)8-21-12-5-3-2-4-11(12)14(15)20/h2-7,9H,8H2,1H3,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide?
2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide has a molecular weight of 288.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide is sourced from PubChem (CID 106217638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).