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

C17H18N2O4 — CID 685575

IUPACN,N'-bis(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C17H18N2O4/c1-22-14-9-5-3-7-12(14)18-16(20)11-17(21)19-13-8-4-6-10-15(13)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPJWNNDDRRUKOFZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.67
Rot. Bonds6

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

N,N'-bis(2-methoxyphenyl)propanediamide (PubChem CID 685575) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N,N'-bis(2-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methoxyphenyl)propanediamide
PubChem CID685575
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN,N'-bis(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C17H18N2O4/c1-22-14-9-5-3-7-12(14)18-16(20)11-17(21)19-13-8-4-6-10-15(13)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPJWNNDDRRUKOFZ-UHFFFAOYSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.67
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-methoxyphenyl)propanediamide?
The IUPAC name of N,N'-bis(2-methoxyphenyl)propanediamide (CID 685575) is N,N'-bis(2-methoxyphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(2-methoxyphenyl)propanediamide?
The canonical SMILES for N,N'-bis(2-methoxyphenyl)propanediamide is COc1ccccc1NC(=O)CC(=O)Nc1ccccc1OC.
What is the InChIKey of N,N'-bis(2-methoxyphenyl)propanediamide?
The InChIKey is PJWNNDDRRUKOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-14-9-5-3-7-12(14)18-16(20)11-17(21)19-13-8-4-6-10-15(13)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N,N'-bis(2-methoxyphenyl)propanediamide?
N,N'-bis(2-methoxyphenyl)propanediamide has a molecular weight of 314.34 g/mol, XLogP of 2.67, 6 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)propanediamide is sourced from PubChem (CID 685575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).