4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide

C15H18N4O3 — CID 47038574

IUPAC4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)[nH]n2)cc1
InChIInChI=1S/C15H18N4O3/c1-3-22-12-6-4-11(5-7-12)15(21)16-9-14(20)17-13-8-10(2)18-19-13/h4-8H,3,9H2,1-2H3,(H,16,21)(H2,17,18,19,20)
InChIKeyUOIFLMDEKOEWPT-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.49
Rot. Bonds6

About 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 47038574) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID47038574
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)[nH]n2)cc1
InChIInChI=1S/C15H18N4O3/c1-3-22-12-6-4-11(5-7-12)15(21)16-9-14(20)17-13-8-10(2)18-19-13/h4-8H,3,9H2,1-2H3,(H,16,21)(H2,17,18,19,20)
InChIKeyUOIFLMDEKOEWPT-UHFFFAOYSA-N
XLogP1.49
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
CID 120524790
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-ethoxy-N-[2-[(3-ethyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 71910889
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 46463640
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide (CID 47038574) is 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2cc(C)[nH]n2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is UOIFLMDEKOEWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-22-12-6-4-11(5-7-12)15(21)16-9-14(20)17-13-8-10(2)18-19-13/h4-8H,3,9H2,1-2H3,(H,16,21)(H2,17,18,19,20).
What are the key properties of 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 302.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 47038574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).