oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)

C38H48N2O4 — CID 175591909

IUPACoxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)
SMILESCc1ccc(Nc2ccc(C)c(C)c2C)c(C)c1C.Cc1ccc(Nc2ccc(C)c(C)c2C)c(C)c1C.O=C(O)C(=O)O
InChIInChI=1S/2C18H23N.C2H2O4/c2*1-11-7-9-17(15(5)13(11)3)19-18-10-8-12(2)14(4)16(18)6;3-1(4)2(5)6/h2*7-10,19H,1-6H3;(H,3,4)(H,5,6)
InChIKeyFOFGPJCTPKPSTM-UHFFFAOYSA-N
MW596.81 g/mol
LogP9.72
Rot. Bonds4

About oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)

oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline) (PubChem CID 175591909) has the molecular formula C38H48N2O4 and a molecular weight of 596.81 g/mol. Its IUPAC name is oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline).

Molecular Properties

Compound Nameoxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)
PubChem CID175591909
Molecular FormulaC38H48N2O4
Molecular Weight596.81 g/mol
Exact Mass596.36
IUPAC Nameoxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)
SMILESCc1ccc(Nc2ccc(C)c(C)c2C)c(C)c1C.Cc1ccc(Nc2ccc(C)c(C)c2C)c(C)c1C.O=C(O)C(=O)O
InChIInChI=1S/2C18H23N.C2H2O4/c2*1-11-7-9-17(15(5)13(11)3)19-18-10-8-12(2)14(4)16(18)6;3-1(4)2(5)6/h2*7-10,19H,1-6H3;(H,3,4)(H,5,6)
InChIKeyFOFGPJCTPKPSTM-UHFFFAOYSA-N
XLogP9.72
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.81
LogP ≤ 59.72
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

N'-(2,3,4-trimethylphenyl)oxamide
CID 115191617
5-oxo-5-(2,3,4-trimethylanilino)pentanoic acid
CID 115163822
propanoic acid;1,2,3,4-tetramethylbenzene
CID 23621081
4-(2,3-dimethylanilino)thiophene-3-carboxylic acid
CID 151566015
CID 10739949
CID 10739949
2-amino-4-oxo-4-(2,3,4-trimethylanilino)butanoic acid
CID 115180979
3-[(2,3,4-trimethylphenyl)carbamoyl]oxetane-3-carboxylic acid
CID 115184921
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
1-[(2,3,4-trimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246413
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
methyl 2,2-dimethyl-3-(2,3,4-trimethylanilino)propanoate
CID 115233608

Frequently Asked Questions

What is the IUPAC name of oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)?
The IUPAC name of oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline) (CID 175591909) is oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline).
What is the SMILES notation for oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)?
The canonical SMILES for oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline) is Cc1ccc(Nc2ccc(C)c(C)c2C)c(C)c1C.Cc1ccc(Nc2ccc(C)c(C)c2C)c(C)c1C.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)?
The InChIKey is FOFGPJCTPKPSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23N.C2H2O4/c2*1-11-7-9-17(15(5)13(11)3)19-18-10-8-12(2)14(4)16(18)6;3-1(4)2(5)6/h2*7-10,19H,1-6H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline)?
oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline) has a molecular weight of 596.81 g/mol, XLogP of 9.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;bis(2,3,4-trimethyl-N-(2,3,4-trimethylphenyl)aniline) is sourced from PubChem (CID 175591909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).