N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid

C21H25FN2O5 — CID 15945235

IUPACN-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
SMILESCCc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C19H23FN2O.C2H2O4/c1-4-15-10-7-8-14(2)19(15)21-18(23)13-22(3)12-16-9-5-6-11-17(16)20;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3,(H,21,23);(H,3,4)(H,5,6)
InChIKeyCRVUMSLKCJSNIK-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.92
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid

N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid (PubChem CID 15945235) has the molecular formula C21H25FN2O5 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
PubChem CID15945235
Molecular FormulaC21H25FN2O5
Molecular Weight404.44 g/mol
Exact Mass404.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
SMILESCCc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C19H23FN2O.C2H2O4/c1-4-15-10-7-8-14(2)19(15)21-18(23)13-22(3)12-16-9-5-6-11-17(16)20;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3,(H,21,23);(H,3,4)(H,5,6)
InChIKeyCRVUMSLKCJSNIK-UHFFFAOYSA-N
XLogP2.92
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113164231
2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9104815
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid (CID 15945235) is N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid is CCc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1F.O=C(O)C(=O)O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid?
The InChIKey is CRVUMSLKCJSNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O.C2H2O4/c1-4-15-10-7-8-14(2)19(15)21-18(23)13-22(3)12-16-9-5-6-11-17(16)20;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3,(H,21,23);(H,3,4)(H,5,6).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid?
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid has a molecular weight of 404.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid is sourced from PubChem (CID 15945235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).