N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide

C15H22N2O4 — CID 108943357

IUPACN'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NCCCOC)cc1
InChIInChI=1S/C15H22N2O4/c1-3-21-13-7-5-12(6-8-13)17-15(19)11-14(18)16-9-4-10-20-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLDJGTJNKHFYYLK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.57
Rot. Bonds9

About N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide

N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide (PubChem CID 108943357) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
PubChem CID108943357
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NCCCOC)cc1
InChIInChI=1S/C15H22N2O4/c1-3-21-13-7-5-12(6-8-13)17-15(19)11-14(18)16-9-4-10-20-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLDJGTJNKHFYYLK-UHFFFAOYSA-N
XLogP1.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133203
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947088
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 6164634
N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948303
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205057
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide (CID 108943357) is N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide is CCOc1ccc(NC(=O)CC(=O)NCCCOC)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide?
The InChIKey is LDJGTJNKHFYYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-13-7-5-12(6-8-13)17-15(19)11-14(18)16-9-4-10-20-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide?
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide has a molecular weight of 294.35 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide is sourced from PubChem (CID 108943357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).