2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid

C20H24N2O5 — CID 15944929

IUPAC2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid
SMILESCCc1cccc(C)c1NC(=O)CNCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H22N2O.C2H2O4/c1-3-16-11-7-8-14(2)18(16)20-17(21)13-19-12-15-9-5-4-6-10-15;3-1(4)2(5)6/h4-11,19H,3,12-13H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyHMCJYDIJPATNRG-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.44
Rot. Bonds6

About 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid

2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid (PubChem CID 15944929) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid
PubChem CID15944929
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid
SMILESCCc1cccc(C)c1NC(=O)CNCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H22N2O.C2H2O4/c1-3-16-11-7-8-14(2)18(16)20-17(21)13-19-12-15-9-5-4-6-10-15;3-1(4)2(5)6/h4-11,19H,3,12-13H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyHMCJYDIJPATNRG-UHFFFAOYSA-N
XLogP2.44
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Lidocaine
CID 3676
Monoethylglycinexylidide
CID 24415
Lidofenin
CID 42963
Lidocaine hydrochloride monohydrate
CID 16219577
Cvt-2738
CID 2608606
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925
Denatonium
CID 15488
Ehida
CID 170344
N-(2-Ethyl-6-methylphenyl)-oxalamic acid
CID 28710564
Disofenin
CID 171682
QX-314 bromide
CID 9884487
Technetium tc-99m disofenin
CID 11430828

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid?
The IUPAC name of 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid (CID 15944929) is 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid.
What is the SMILES notation for 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid?
The canonical SMILES for 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid is CCc1cccc(C)c1NC(=O)CNCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid?
The InChIKey is HMCJYDIJPATNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.C2H2O4/c1-3-16-11-7-8-14(2)18(16)20-17(21)13-19-12-15-9-5-4-6-10-15;3-1(4)2(5)6/h4-11,19H,3,12-13H2,1-2H3,(H,20,21);(H,3,4)(H,5,6).
What are the key properties of 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid?
2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid has a molecular weight of 372.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2-ethyl-6-methylphenyl)acetamide;oxalic acid is sourced from PubChem (CID 15944929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).