N,N'-bis(2-methoxyphenyl)hexanediamide

C20H24N2O4 — CID 2165672

IUPACN,N'-bis(2-methoxyphenyl)hexanediamide
SMILESCOc1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H24N2O4/c1-25-17-11-5-3-9-15(17)21-19(23)13-7-8-14-20(24)22-16-10-4-6-12-18(16)26-2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVJAXNDDZONAVSQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.84
Rot. Bonds9

About N,N'-bis(2-methoxyphenyl)hexanediamide

N,N'-bis(2-methoxyphenyl)hexanediamide (PubChem CID 2165672) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N,N'-bis(2-methoxyphenyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methoxyphenyl)hexanediamide
PubChem CID2165672
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN,N'-bis(2-methoxyphenyl)hexanediamide
SMILESCOc1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H24N2O4/c1-25-17-11-5-3-9-15(17)21-19(23)13-7-8-14-20(24)22-16-10-4-6-12-18(16)26-2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVJAXNDDZONAVSQ-UHFFFAOYSA-N
XLogP3.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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(2-methoxyphenyl)hexanediamide?
The IUPAC name of N,N'-bis(2-methoxyphenyl)hexanediamide (CID 2165672) is N,N'-bis(2-methoxyphenyl)hexanediamide.
What is the SMILES notation for N,N'-bis(2-methoxyphenyl)hexanediamide?
The canonical SMILES for N,N'-bis(2-methoxyphenyl)hexanediamide is COc1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1OC.
What is the InChIKey of N,N'-bis(2-methoxyphenyl)hexanediamide?
The InChIKey is VJAXNDDZONAVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-17-11-5-3-9-15(17)21-19(23)13-7-8-14-20(24)22-16-10-4-6-12-18(16)26-2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(2-methoxyphenyl)hexanediamide?
N,N'-bis(2-methoxyphenyl)hexanediamide has a molecular weight of 356.42 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methoxyphenyl)hexanediamide is sourced from PubChem (CID 2165672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).