N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide

C14H20N2O4 — CID 108940714

IUPACN'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C14H20N2O4/c1-4-7-15-13(17)9-14(18)16-11-8-10(19-2)5-6-12(11)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyQVANQAUSASBOIK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.56
Rot. Bonds7

About N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide

N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide (PubChem CID 108940714) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
PubChem CID108940714
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C14H20N2O4/c1-4-7-15-13(17)9-14(18)16-11-8-10(19-2)5-6-12(11)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyQVANQAUSASBOIK-UHFFFAOYSA-N
XLogP1.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.56
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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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide
CID 50981444
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
CID 54814780
N'-butan-2-yl-N-(2,5-dimethoxyphenyl)propanediamide
CID 108941866
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid
CID 3381137
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide (CID 108940714) is N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide is CCCNC(=O)CC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide?
The InChIKey is QVANQAUSASBOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-7-15-13(17)9-14(18)16-11-8-10(19-2)5-6-12(11)20-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide?
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide has a molecular weight of 280.32 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide is sourced from PubChem (CID 108940714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).