2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid

C14H19NO4 — CID 79468988

IUPAC2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
SMILESCc1ccc(C)c(CC(=O)NCCOCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-10-3-4-11(2)12(7-10)8-13(16)15-5-6-19-9-14(17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBVCSVQYTNALOIU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid

2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid (PubChem CID 79468988) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
PubChem CID79468988
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
SMILESCc1ccc(C)c(CC(=O)NCCOCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-10-3-4-11(2)12(7-10)8-13(16)15-5-6-19-9-14(17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBVCSVQYTNALOIU-UHFFFAOYSA-N
XLogP1.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]ethoxy]acetic acid
CID 79456992
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
3-[2-(2,5-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163499
4-[4-[[[2-(2,5-dimethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247331
N-(2-chloro-3-methoxypropyl)-2-(2,5-dimethylphenyl)acetamide
CID 113272106
2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62539659

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid (CID 79468988) is 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid is Cc1ccc(C)c(CC(=O)NCCOCC(=O)O)c1.
What is the InChIKey of 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid?
The InChIKey is BVCSVQYTNALOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-3-4-11(2)12(7-10)8-13(16)15-5-6-19-9-14(17)18/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79468988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).