2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid

C14H19NO5 — CID 79457335

IUPAC2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid
SMILESCOc1ccc(CCC(=O)NCCOCC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-19-12-5-2-11(3-6-12)4-7-13(16)15-8-9-20-10-14(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyVIDRAVXFJIONJH-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.85
Rot. Bonds9

About 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid

2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid (PubChem CID 79457335) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid
PubChem CID79457335
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid
SMILESCOc1ccc(CCC(=O)NCCOCC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-19-12-5-2-11(3-6-12)4-7-13(16)15-8-9-20-10-14(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyVIDRAVXFJIONJH-UHFFFAOYSA-N
XLogP0.85
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.85
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

2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
5-[3-(4-methoxyphenyl)propanoylamino]-2-methylpentanoic acid
CID 104682662
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide
CID 78798639
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid (CID 79457335) is 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid is COc1ccc(CCC(=O)NCCOCC(=O)O)cc1.
What is the InChIKey of 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid?
The InChIKey is VIDRAVXFJIONJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-12-5-2-11(3-6-12)4-7-13(16)15-8-9-20-10-14(17)18/h2-3,5-6H,4,7-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid?
2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79457335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).