N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide

C16H25N3O4 — CID 108944261

IUPACN'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NCCCN(C)C)cc1OC
InChIInChI=1S/C16H25N3O4/c1-19(2)9-5-8-17-15(20)11-16(21)18-12-6-7-13(22-3)14(10-12)23-4/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,20)(H,18,21)
InChIKeySPKYKKNFXRRWRZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.10
Rot. Bonds9

About N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide

N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide (PubChem CID 108944261) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
PubChem CID108944261
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NCCCN(C)C)cc1OC
InChIInChI=1S/C16H25N3O4/c1-19(2)9-5-8-17-15(20)11-16(21)18-12-6-7-13(22-3)14(10-12)23-4/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,20)(H,18,21)
InChIKeySPKYKKNFXRRWRZ-UHFFFAOYSA-N
XLogP1.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268
N-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960294
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)propanediamide
CID 108942996
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide (CID 108944261) is N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide is COc1ccc(NC(=O)CC(=O)NCCCN(C)C)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The InChIKey is SPKYKKNFXRRWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-19(2)9-5-8-17-15(20)11-16(21)18-12-6-7-13(22-3)14(10-12)23-4/h6-7,10H,5,8-9,11H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide?
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide has a molecular weight of 323.39 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide is sourced from PubChem (CID 108944261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).