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

C22H28N2O4 — CID 108949731

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)Nc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15(2)17-7-5-6-8-18(17)24-22(26)14-21(25)23-12-11-16-9-10-19(27-3)20(13-16)28-4/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyMJPNDYOSGYCJEU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.51
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108949731) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
PubChem CID108949731
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)Nc2ccccc2C(C)C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15(2)17-7-5-6-8-18(17)24-22(26)14-21(25)23-12-11-16-9-10-19(27-3)20(13-16)28-4/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyMJPNDYOSGYCJEU-UHFFFAOYSA-N
XLogP3.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.51
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

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7959307
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108949721
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113122091
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108951318
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide (CID 108949731) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide is COc1ccc(CCNC(=O)CC(=O)Nc2ccccc2C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is MJPNDYOSGYCJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)17-7-5-6-8-18(17)24-22(26)14-21(25)23-12-11-16-9-10-19(27-3)20(13-16)28-4/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 384.48 g/mol, XLogP of 3.51, 9 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-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108949731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).