N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide

C22H28N2O4 — CID 108949921

IUPACN'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-5-16-8-7-9-17(6-2)22(16)24-21(26)13-20(25)23-14-15-10-11-18(27-3)19(12-15)28-4/h7-12H,5-6,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyFWHZGQKXYLRZFU-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.47
Rot. Bonds9

About N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide

N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide (PubChem CID 108949921) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
PubChem CID108949921
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-5-16-8-7-9-17(6-2)22(16)24-21(26)13-20(25)23-14-15-10-11-18(27-3)19(12-15)28-4/h7-12H,5-6,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyFWHZGQKXYLRZFU-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978448
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
CID 108949889
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide (CID 108949921) is N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide is CCc1cccc(CC)c1NC(=O)CC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide?
The InChIKey is FWHZGQKXYLRZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-16-8-7-9-17(6-2)22(16)24-21(26)13-20(25)23-14-15-10-11-18(27-3)19(12-15)28-4/h7-12H,5-6,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide?
N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide has a molecular weight of 384.48 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108949921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).