N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide

C15H23N3O4 — CID 108943905

IUPACN'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCOc1ccc(OC)c(NC(=O)CC(=O)NCCN(C)C)c1
InChIInChI=1S/C15H23N3O4/c1-18(2)8-7-16-14(19)10-15(20)17-12-9-11(21-3)5-6-13(12)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyLGANNALVWRZHTL-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.71
Rot. Bonds8

About N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide

N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide (PubChem CID 108943905) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
PubChem CID108943905
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCOc1ccc(OC)c(NC(=O)CC(=O)NCCN(C)C)c1
InChIInChI=1S/C15H23N3O4/c1-18(2)8-7-16-14(19)10-15(20)17-12-9-11(21-3)5-6-13(12)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyLGANNALVWRZHTL-UHFFFAOYSA-N
XLogP0.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
1-N'-(2,5-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973517
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
(2S)-4-(2,5-dimethoxyanilino)-2-[3-(dimethylamino)propylamino]-4-oxobutanoic acid
CID 7591987
(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
CID 42588010
N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide
CID 50981444
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide (CID 108943905) is N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide is COc1ccc(OC)c(NC(=O)CC(=O)NCCN(C)C)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The InChIKey is LGANNALVWRZHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-18(2)8-7-16-14(19)10-15(20)17-12-9-11(21-3)5-6-13(12)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide has a molecular weight of 309.37 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide is sourced from PubChem (CID 108943905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).