2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid

C14H19NO5 — CID 110495239

IUPAC2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
SMILESCCOc1cccc(C(=O)NCCOC(C)C(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-3-19-12-6-4-5-11(9-12)13(16)15-7-8-20-10(2)14(17)18/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWVMSTXRVFIIBCE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.30
Rot. Bonds8

About 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid

2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid (PubChem CID 110495239) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
PubChem CID110495239
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
SMILESCCOc1cccc(C(=O)NCCOC(C)C(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-3-19-12-6-4-5-11(9-12)13(16)15-7-8-20-10(2)14(17)18/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWVMSTXRVFIIBCE-UHFFFAOYSA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.30
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

3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid
CID 110495219
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid?
The IUPAC name of 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid (CID 110495239) is 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid?
The canonical SMILES for 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid is CCOc1cccc(C(=O)NCCOC(C)C(=O)O)c1.
What is the InChIKey of 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid?
The InChIKey is WVMSTXRVFIIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-19-12-6-4-5-11(9-12)13(16)15-7-8-20-10(2)14(17)18/h4-6,9-10H,3,7-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid?
2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid is sourced from PubChem (CID 110495239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).