N,N'-bis(4-methylphenyl)hexanediamide

C20H24N2O2 — CID 3113761

IUPACN,N'-bis(4-methylphenyl)hexanediamide
SMILESCc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-7-11-17(12-8-15)21-19(23)5-3-4-6-20(24)22-18-13-9-16(2)10-14-18/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKENCHVFXABFDDW-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.44
Rot. Bonds7

About N,N'-bis(4-methylphenyl)hexanediamide

N,N'-bis(4-methylphenyl)hexanediamide (PubChem CID 3113761) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N,N'-bis(4-methylphenyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(4-methylphenyl)hexanediamide
PubChem CID3113761
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN,N'-bis(4-methylphenyl)hexanediamide
SMILESCc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-15-7-11-17(12-8-15)21-19(23)5-3-4-6-20(24)22-18-13-9-16(2)10-14-18/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKENCHVFXABFDDW-UHFFFAOYSA-N
XLogP4.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methylphenyl)hexanediamide?
The IUPAC name of N,N'-bis(4-methylphenyl)hexanediamide (CID 3113761) is N,N'-bis(4-methylphenyl)hexanediamide.
What is the SMILES notation for N,N'-bis(4-methylphenyl)hexanediamide?
The canonical SMILES for N,N'-bis(4-methylphenyl)hexanediamide is Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N,N'-bis(4-methylphenyl)hexanediamide?
The InChIKey is KENCHVFXABFDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-11-17(12-8-15)21-19(23)5-3-4-6-20(24)22-18-13-9-16(2)10-14-18/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(4-methylphenyl)hexanediamide?
N,N'-bis(4-methylphenyl)hexanediamide has a molecular weight of 324.42 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methylphenyl)hexanediamide is sourced from PubChem (CID 3113761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).