2-[4-(3-phenylpropanoylamino)phenoxy]acetate

C17H16NO4- — CID 2231593

IUPAC2-[4-(3-phenylpropanoylamino)phenoxy]acetate
SMILESO=C([O-])COc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c19-16(11-6-13-4-2-1-3-5-13)18-14-7-9-15(10-8-14)22-12-17(20)21/h1-5,7-10H,6,11-12H2,(H,18,19)(H,20,21)/p-1
InChIKeyDMMXZNIINKUMKZ-UHFFFAOYSA-M
MW298.32 g/mol
LogP1.39
Rot. Bonds7

About 2-[4-(3-phenylpropanoylamino)phenoxy]acetate

2-[4-(3-phenylpropanoylamino)phenoxy]acetate (PubChem CID 2231593) has the molecular formula C17H16NO4- and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[4-(3-phenylpropanoylamino)phenoxy]acetate.

Molecular Properties

Compound Name2-[4-(3-phenylpropanoylamino)phenoxy]acetate
PubChem CID2231593
Molecular FormulaC17H16NO4-
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-[4-(3-phenylpropanoylamino)phenoxy]acetate
SMILESO=C([O-])COc1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c19-16(11-6-13-4-2-1-3-5-13)18-14-7-9-15(10-8-14)22-12-17(20)21/h1-5,7-10H,6,11-12H2,(H,18,19)(H,20,21)/p-1
InChIKeyDMMXZNIINKUMKZ-UHFFFAOYSA-M
XLogP1.39
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate
CID 7320451
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropanoylamino)phenoxy]acetate?
The IUPAC name of 2-[4-(3-phenylpropanoylamino)phenoxy]acetate (CID 2231593) is 2-[4-(3-phenylpropanoylamino)phenoxy]acetate.
What is the SMILES notation for 2-[4-(3-phenylpropanoylamino)phenoxy]acetate?
The canonical SMILES for 2-[4-(3-phenylpropanoylamino)phenoxy]acetate is O=C([O-])COc1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(3-phenylpropanoylamino)phenoxy]acetate?
The InChIKey is DMMXZNIINKUMKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17NO4/c19-16(11-6-13-4-2-1-3-5-13)18-14-7-9-15(10-8-14)22-12-17(20)21/h1-5,7-10H,6,11-12H2,(H,18,19)(H,20,21)/p-1.
What are the key properties of 2-[4-(3-phenylpropanoylamino)phenoxy]acetate?
2-[4-(3-phenylpropanoylamino)phenoxy]acetate has a molecular weight of 298.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropanoylamino)phenoxy]acetate is sourced from PubChem (CID 2231593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).