N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide

C20H24N2O5 — CID 48502857

IUPACN-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
SMILESCOc1ccc(CNC(=O)CNC(=O)COCCOc2ccccc2)cc1
InChIInChI=1S/C20H24N2O5/c1-25-17-9-7-16(8-10-17)13-21-19(23)14-22-20(24)15-26-11-12-27-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyAATXGOGBECYNMV-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.52
Rot. Bonds11

About N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide

N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide (PubChem CID 48502857) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
PubChem CID48502857
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
SMILESCOc1ccc(CNC(=O)CNC(=O)COCCOc2ccccc2)cc1
InChIInChI=1S/C20H24N2O5/c1-25-17-9-7-16(8-10-17)13-21-19(23)14-22-20(24)15-26-11-12-27-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyAATXGOGBECYNMV-UHFFFAOYSA-N
XLogP1.52
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide (CID 48502857) is N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide is COc1ccc(CNC(=O)CNC(=O)COCCOc2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide?
The InChIKey is AATXGOGBECYNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-25-17-9-7-16(8-10-17)13-21-19(23)14-22-20(24)15-26-11-12-27-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide has a molecular weight of 372.42 g/mol, XLogP of 1.52, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide is sourced from PubChem (CID 48502857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).