N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide

C21H26N2O4 — CID 108949721

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)Nc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-5-7-17(15(2)11-14)23-21(25)13-20(24)22-10-9-16-6-8-18(26-3)19(12-16)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBETIBJBKHXVNPP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.01
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide (PubChem CID 108949721) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
PubChem CID108949721
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)Nc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C21H26N2O4/c1-14-5-7-17(15(2)11-14)23-21(25)13-20(24)22-10-9-16-6-8-18(26-3)19(12-16)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBETIBJBKHXVNPP-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.01
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-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109002699
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815174
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291243

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide (CID 108949721) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide is COc1ccc(CCNC(=O)CC(=O)Nc2ccc(C)cc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide?
The InChIKey is BETIBJBKHXVNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-5-7-17(15(2)11-14)23-21(25)13-20(24)22-10-9-16-6-8-18(26-3)19(12-16)27-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide has a molecular weight of 370.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide is sourced from PubChem (CID 108949721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).