2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid

C14H18N2O5 — CID 61398096

IUPAC2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
SMILESCC(=O)NCCNC(=O)COc1cccc(CC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-10(17)15-5-6-16-13(18)9-21-12-4-2-3-11(7-12)8-14(19)20/h2-4,7H,5-6,8-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyVHUUWKSKJSGTJP-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.06
Rot. Bonds8

About 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid

2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid (PubChem CID 61398096) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
PubChem CID61398096
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
SMILESCC(=O)NCCNC(=O)COc1cccc(CC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-10(17)15-5-6-16-13(18)9-21-12-4-2-3-11(7-12)8-14(19)20/h2-4,7H,5-6,8-9H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyVHUUWKSKJSGTJP-UHFFFAOYSA-N
XLogP-0.06
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398227
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
2-[2-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 80723765
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-[3-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398190
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid (CID 61398096) is 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid is CC(=O)NCCNC(=O)COc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid?
The InChIKey is VHUUWKSKJSGTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-10(17)15-5-6-16-13(18)9-21-12-4-2-3-11(7-12)8-14(19)20/h2-4,7H,5-6,8-9H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid?
2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of -0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid is sourced from PubChem (CID 61398096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).