2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid

C25H24N2O5 — CID 58948678

IUPAC2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid
SMILESCC(=O)Nc1ccccc1OCCCOc1ccc2c3ccccc3n(CC(=O)O)c2c1
InChIInChI=1S/C25H24N2O5/c1-17(28)26-21-8-3-5-10-24(21)32-14-6-13-31-18-11-12-20-19-7-2-4-9-22(19)27(16-25(29)30)23(20)15-18/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,26,28)(H,29,30)
InChIKeyJIGKINXKPPXMNS-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.69
Rot. Bonds9

About 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid

2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid (PubChem CID 58948678) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid
PubChem CID58948678
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid
SMILESCC(=O)Nc1ccccc1OCCCOc1ccc2c3ccccc3n(CC(=O)O)c2c1
InChIInChI=1S/C25H24N2O5/c1-17(28)26-21-8-3-5-10-24(21)32-14-6-13-31-18-11-12-20-19-7-2-4-9-22(19)27(16-25(29)30)23(20)15-18/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,26,28)(H,29,30)
InChIKeyJIGKINXKPPXMNS-UHFFFAOYSA-N
XLogP4.69
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid
CID 58948620
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235
2-[2-[3-(3-propan-2-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948685
2-[2-[5-(2-acetamidophenoxy)pentoxy]carbazol-9-yl]-3-[2-[5-(3,4-dimethoxyphenoxy)pentoxy]carbazol-9-yl]butanedioic acid
CID 91120322
2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948638
2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium
CID 157189840
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
2-[2-[5-(6-cyanonaphthalen-2-yl)oxypentoxy]carbazol-9-yl]acetic acid
CID 58948679
2-[2-[4-[(3-oxo-1,2-dihydroinden-5-yl)oxy]butoxy]carbazol-9-yl]acetic acid
CID 23627349
2-[2-[4-[4-(1,2,4-triazol-1-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid
CID 23628120
2-[2-[4-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]butoxy]carbazol-9-yl]acetic acid
CID 23627288

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid?
The IUPAC name of 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid (CID 58948678) is 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid is CC(=O)Nc1ccccc1OCCCOc1ccc2c3ccccc3n(CC(=O)O)c2c1.
What is the InChIKey of 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid?
The InChIKey is JIGKINXKPPXMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17(28)26-21-8-3-5-10-24(21)32-14-6-13-31-18-11-12-20-19-7-2-4-9-22(19)27(16-25(29)30)23(20)15-18/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,26,28)(H,29,30).
What are the key properties of 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid?
2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid has a molecular weight of 432.48 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid is sourced from PubChem (CID 58948678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).