2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide

C13H18N2O4 — CID 47412803

IUPAC2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
SMILESCC(C)OCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H18N2O4/c1-9(2)18-8-13(17)15-10-3-5-11(6-4-10)19-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKLPRNCGLRYCZEH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.91
Rot. Bonds7

About 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide

2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide (PubChem CID 47412803) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
PubChem CID47412803
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
SMILESCC(C)OCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H18N2O4/c1-9(2)18-8-13(17)15-10-3-5-11(6-4-10)19-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKLPRNCGLRYCZEH-UHFFFAOYSA-N
XLogP0.91
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide
CID 60849921
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
CID 119281562
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604074
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
CID 176753674
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide (CID 47412803) is 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide is CC(C)OCC(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide?
The InChIKey is KLPRNCGLRYCZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)18-8-13(17)15-10-3-5-11(6-4-10)19-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide?
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide has a molecular weight of 266.30 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide is sourced from PubChem (CID 47412803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).