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

C22H28N2O4 — CID 108965012

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15-8-6-7-9-17(15)24-21(26)22(2,3)20(25)23-13-12-16-10-11-18(27-4)19(14-16)28-5/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyYQKHMOXJVWPENC-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.34
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide (PubChem CID 108965012) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
PubChem CID108965012
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15-8-6-7-9-17(15)24-21(26)22(2,3)20(25)23-13-12-16-10-11-18(27-4)19(14-16)28-5/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyYQKHMOXJVWPENC-UHFFFAOYSA-N
XLogP3.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.34
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-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963881
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963351
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963914
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963657
N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964304
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
N-(5-chloro-2-methylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964386
N-(2-ethylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964450
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide (CID 108965012) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide is COc1ccc(CCNC(=O)C(C)(C)C(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide?
The InChIKey is YQKHMOXJVWPENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-8-6-7-9-17(15)24-21(26)22(2,3)20(25)23-13-12-16-10-11-18(27-4)19(14-16)28-5/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide has a molecular weight of 384.48 g/mol, XLogP of 3.34, 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]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide is sourced from PubChem (CID 108965012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).