N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide

C21H26N2O5 — CID 108539406

IUPACN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C21H26N2O5/c1-14-5-6-19(15(2)9-14)28-13-20(24)22-7-8-23-21(25)16-10-17(26-3)12-18(11-16)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySUXMMQKATNWKJI-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.25
Rot. Bonds9

About N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide

N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide (PubChem CID 108539406) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
PubChem CID108539406
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCNC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C21H26N2O5/c1-14-5-6-19(15(2)9-14)28-13-20(24)22-7-8-23-21(25)16-10-17(26-3)12-18(11-16)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySUXMMQKATNWKJI-UHFFFAOYSA-N
XLogP2.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.25
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

2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108571566
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245
2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 38427451

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide (CID 108539406) is N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCNC(=O)COc2ccc(C)cc2C)c1.
What is the InChIKey of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is SUXMMQKATNWKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14-5-6-19(15(2)9-14)28-13-20(24)22-7-8-23-21(25)16-10-17(26-3)12-18(11-16)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide?
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108539406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).