N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide

C17H22N4O3 — CID 131943576

IUPACN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C(C)n2cc(C)cn2)cc1C
InChIInChI=1S/C17H22N4O3/c1-11-8-18-21(9-11)13(3)17(23)19-14-5-6-15(12(2)7-14)20-16(22)10-24-4/h5-9,13H,10H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyFXENNXOWDIQFFE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.28
Rot. Bonds6

About N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide

N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide (PubChem CID 131943576) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
PubChem CID131943576
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C(C)n2cc(C)cn2)cc1C
InChIInChI=1S/C17H22N4O3/c1-11-8-18-21(9-11)13(3)17(23)19-14-5-6-15(12(2)7-14)20-16(22)10-24-4/h5-9,13H,10H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyFXENNXOWDIQFFE-UHFFFAOYSA-N
XLogP2.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide
CID 131937070
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide
CID 131924701
N-(2,6-dimethylphenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534343
2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 131889010
2-(dimethylamino)-2-(2-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131905281
2,6-dichloro-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]benzamide
CID 131901895
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534314
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534602
2-(4-methylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19534360
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(2-cyano-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534572
2-(4-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19534387

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide (CID 131943576) is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide is COCC(=O)Nc1ccc(NC(=O)C(C)n2cc(C)cn2)cc1C.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is FXENNXOWDIQFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-8-18-21(9-11)13(3)17(23)19-14-5-6-15(12(2)7-14)20-16(22)10-24-4/h5-9,13H,10H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide?
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 131943576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).