2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid

C17H22N2O5 — CID 119224754

IUPAC2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CN2CCCCCCC2=O)c1
InChIInChI=1S/C17H22N2O5/c20-15(11-19-9-4-2-1-3-8-16(19)21)18-13-6-5-7-14(10-13)24-12-17(22)23/h5-7,10H,1-4,8-9,11-12H2,(H,18,20)(H,22,23)
InChIKeyGIURQAMMFOJHCP-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.88
Rot. Bonds6

About 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid

2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid (PubChem CID 119224754) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid
PubChem CID119224754
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CN2CCCCCCC2=O)c1
InChIInChI=1S/C17H22N2O5/c20-15(11-19-9-4-2-1-3-8-16(19)21)18-13-6-5-7-14(10-13)24-12-17(22)23/h5-7,10H,1-4,8-9,11-12H2,(H,18,20)(H,22,23)
InChIKeyGIURQAMMFOJHCP-UHFFFAOYSA-N
XLogP1.88
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
3-[3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]phenyl]propanoic acid
CID 120613759
methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoate
CID 31321337
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
3-[[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241089
2-(2-oxopyrrolidin-1-yl)-N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 78885330
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
[2-(3-chloroanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727947

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid (CID 119224754) is 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)CN2CCCCCCC2=O)c1.
What is the InChIKey of 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid?
The InChIKey is GIURQAMMFOJHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-15(11-19-9-4-2-1-3-8-16(19)21)18-13-6-5-7-14(10-13)24-12-17(22)23/h5-7,10H,1-4,8-9,11-12H2,(H,18,20)(H,22,23).
What are the key properties of 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid?
2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(2-oxoazocan-1-yl)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 119224754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).