3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide

C21H25N3O5 — CID 108541135

IUPAC3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
SMILESCCOc1ccccc1OCC(=O)NCCNC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H25N3O5/c1-3-28-18-9-4-5-10-19(18)29-14-20(26)22-11-12-23-21(27)16-7-6-8-17(13-16)24-15(2)25/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyUSIMQZJVHHFPJY-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.97
Rot. Bonds10

About 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide

3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 108541135) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
PubChem CID108541135
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
SMILESCCOc1ccccc1OCC(=O)NCCNC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C21H25N3O5/c1-3-28-18-9-4-5-10-19(18)29-14-20(26)22-11-12-23-21(27)16-7-6-8-17(13-16)24-15(2)25/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyUSIMQZJVHHFPJY-UHFFFAOYSA-N
XLogP1.97
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541140
2-ethoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17219003
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927830
[3-[[3-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929044
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
3-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 55802015
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298
3-acetamido-N-ethylbenzamide
CID 17230670
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide (CID 108541135) is 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide is CCOc1ccccc1OCC(=O)NCCNC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is USIMQZJVHHFPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-3-28-18-9-4-5-10-19(18)29-14-20(26)22-11-12-23-21(27)16-7-6-8-17(13-16)24-15(2)25/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide?
3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 1.97, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 108541135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).