oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide

C21H26N2O5 — CID 11834471

IUPACoxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide
SMILESCCCC(C)NCC(=O)Nc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O.C2H2O4/c1-3-9-15(2)20-14-19(22)21-18-13-8-7-12-17(18)16-10-5-4-6-11-16;3-1(4)2(5)6/h4-8,10-13,15,20H,3,9,14H2,1-2H3,(H,21,22);(H,3,4)(H,5,6)
InChIKeyQWZQMYKPKVIJEK-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.23
Rot. Bonds7

About oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide

oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide (PubChem CID 11834471) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Nameoxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide
PubChem CID11834471
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Nameoxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide
SMILESCCCC(C)NCC(=O)Nc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O.C2H2O4/c1-3-9-15(2)20-14-19(22)21-18-13-8-7-12-17(18)16-10-5-4-6-11-16;3-1(4)2(5)6/h4-8,10-13,15,20H,3,9,14H2,1-2H3,(H,21,22);(H,3,4)(H,5,6)
InChIKeyQWZQMYKPKVIJEK-UHFFFAOYSA-N
XLogP3.23
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide (CID 11834471) is oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide is CCCC(C)NCC(=O)Nc1ccccc1-c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide?
The InChIKey is QWZQMYKPKVIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C2H2O4/c1-3-9-15(2)20-14-19(22)21-18-13-8-7-12-17(18)16-10-5-4-6-11-16;3-1(4)2(5)6/h4-8,10-13,15,20H,3,9,14H2,1-2H3,(H,21,22);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide?
oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide has a molecular weight of 386.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(pentan-2-ylamino)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 11834471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).