N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide

C21H26N2O4 — CID 2360210

IUPACN,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-26-18-7-3-16(4-8-18)11-13-22-20(24)15-21(25)23-14-12-17-5-9-19(27-2)10-6-17/h3-10H,11-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBKOWFUHGWRIXDG-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.11
Rot. Bonds10

About N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide

N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide (PubChem CID 2360210) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide
PubChem CID2360210
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-26-18-7-3-16(4-8-18)11-13-22-20(24)15-21(25)23-14-12-17-5-9-19(27-2)10-6-17/h3-10H,11-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBKOWFUHGWRIXDG-UHFFFAOYSA-N
XLogP2.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide (CID 2360210) is N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide is COc1ccc(CCNC(=O)CC(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide?
The InChIKey is BKOWFUHGWRIXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-26-18-7-3-16(4-8-18)11-13-22-20(24)15-21(25)23-14-12-17-5-9-19(27-2)10-6-17/h3-10H,11-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide?
N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide has a molecular weight of 370.45 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 2360210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).