N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide

C15H22N2O5 — CID 108940751

IUPACN-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCCCNC(=O)CC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-5-6-16-13(18)9-14(19)17-10-7-11(20-2)15(22-4)12(8-10)21-3/h7-8H,5-6,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyURYNQUZRQIAARW-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.57
Rot. Bonds8

About N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide

N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide (PubChem CID 108940751) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
PubChem CID108940751
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC NameN-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCCCNC(=O)CC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-5-6-16-13(18)9-14(19)17-10-7-11(20-2)15(22-4)12(8-10)21-3/h7-8H,5-6,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyURYNQUZRQIAARW-UHFFFAOYSA-N
XLogP1.57
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956802
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
[2-oxo-2-(propylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572054
N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109006089
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The IUPAC name of N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide (CID 108940751) is N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide.
What is the SMILES notation for N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The canonical SMILES for N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide is CCCNC(=O)CC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The InChIKey is URYNQUZRQIAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-5-6-16-13(18)9-14(19)17-10-7-11(20-2)15(22-4)12(8-10)21-3/h7-8H,5-6,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide?
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide has a molecular weight of 310.35 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide is sourced from PubChem (CID 108940751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).