4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine

C20H18N2O2-2 — CID 163779490

IUPAC4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine
SMILESCc1ccc(N([O-])c2ccc(N([O-])c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H18N2O2/c1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20/h3-14H,1-2H3/q-2
InChIKeyRLIPGLQQFAATLX-UHFFFAOYSA-N
MW318.38 g/mol
LogP5.58
Rot. Bonds4

About 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine

4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine (PubChem CID 163779490) has the molecular formula C20H18N2O2-2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine
PubChem CID163779490
Molecular FormulaC20H18N2O2-2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine
SMILESCc1ccc(N([O-])c2ccc(N([O-])c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H18N2O2/c1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20/h3-14H,1-2H3/q-2
InChIKeyRLIPGLQQFAATLX-UHFFFAOYSA-N
XLogP5.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine (CID 163779490) is 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine is Cc1ccc(N([O-])c2ccc(N([O-])c3cccc(C)c3)cc2)cc1.
What is the InChIKey of 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine?
The InChIKey is RLIPGLQQFAATLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20/h3-14H,1-2H3/q-2.
What are the key properties of 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine?
4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine has a molecular weight of 318.38 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine is sourced from PubChem (CID 163779490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).