3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide

C22H28N2O5 — CID 108537745

IUPAC3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)COc2c(C)ccc(C)c2C)cc1OC
InChIInChI=1S/C22H28N2O5/c1-14-6-7-15(2)21(16(14)3)29-13-20(25)23-10-11-24-22(26)17-8-9-18(27-4)19(12-17)28-5/h6-9,12H,10-11,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyUWDVCADVXOOPSN-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.55
Rot. Bonds9

About 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide

3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 108537745) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
PubChem CID108537745
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)COc2c(C)ccc(C)c2C)cc1OC
InChIInChI=1S/C22H28N2O5/c1-14-6-7-15(2)21(16(14)3)29-13-20(25)23-10-11-24-22(26)17-8-9-18(27-4)19(12-17)28-5/h6-9,12H,10-11,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyUWDVCADVXOOPSN-UHFFFAOYSA-N
XLogP2.55
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
2-(2-methoxyphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101132
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
N-[2-[(2-cyanoacetyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 108537248
N-[2-(2-methoxyphenyl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977943
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164
N-[2-[[2-(4-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935130
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720006

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide (CID 108537745) is 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)COc2c(C)ccc(C)c2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is UWDVCADVXOOPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-14-6-7-15(2)21(16(14)3)29-13-20(25)23-10-11-24-22(26)17-8-9-18(27-4)19(12-17)28-5/h6-9,12H,10-11,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide?
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 108537745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).