N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide

C16H24N2O4 — CID 108572434

IUPACN-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCNC(=O)COc1ccccc1OCC
InChIInChI=1S/C16H24N2O4/c1-3-7-15(19)17-10-11-18-16(20)12-22-14-9-6-5-8-13(14)21-4-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVYBYVNBVDCIRNL-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.50
Rot. Bonds10

About N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide

N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide (PubChem CID 108572434) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
PubChem CID108572434
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCNC(=O)COc1ccccc1OCC
InChIInChI=1S/C16H24N2O4/c1-3-7-15(19)17-10-11-18-16(20)12-22-14-9-6-5-8-13(14)21-4-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVYBYVNBVDCIRNL-UHFFFAOYSA-N
XLogP1.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
CID 108572439
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(2-ethoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 78794400
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
CID 60551513
2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983446
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide?
The IUPAC name of N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide (CID 108572434) is N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide is CCCC(=O)NCCNC(=O)COc1ccccc1OCC.
What is the InChIKey of N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide?
The InChIKey is VYBYVNBVDCIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-7-15(19)17-10-11-18-16(20)12-22-14-9-6-5-8-13(14)21-4-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide?
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide has a molecular weight of 308.38 g/mol, XLogP of 1.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide is sourced from PubChem (CID 108572434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).