2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid

C13H17NO5 — CID 55242073

IUPAC2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
SMILESCCOCCC(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-2-18-8-7-12(15)14-10-3-5-11(6-4-10)19-9-13(16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyFDGQNDBPSNRUKR-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.52
Rot. Bonds8

About 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid

2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid (PubChem CID 55242073) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
PubChem CID55242073
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
SMILESCCOCCC(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-2-18-8-7-12(15)14-10-3-5-11(6-4-10)19-9-13(16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyFDGQNDBPSNRUKR-UHFFFAOYSA-N
XLogP1.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.52
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-[4-(methylamino)butanoylamino]phenoxy]acetic acid
CID 63745885
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide
CID 46451811
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid (CID 55242073) is 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid is CCOCCC(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid?
The InChIKey is FDGQNDBPSNRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-2-18-8-7-12(15)14-10-3-5-11(6-4-10)19-9-13(16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid?
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid is sourced from PubChem (CID 55242073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).