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

C25H26N2O4 — CID 58948620

IUPAC2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid
SMILESCN(C)c1cccc(OCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c1
InChIInChI=1S/C25H26N2O4/c1-26(2)18-7-5-8-19(15-18)30-13-6-14-31-20-11-12-22-21-9-3-4-10-23(21)27(17-25(28)29)24(22)16-20/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,28,29)
InChIKeyUSMANGVIDLPHET-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.79
Rot. Bonds9

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

2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid (PubChem CID 58948620) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid
PubChem CID58948620
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid
SMILESCN(C)c1cccc(OCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c1
InChIInChI=1S/C25H26N2O4/c1-26(2)18-7-5-8-19(15-18)30-13-6-14-31-20-11-12-22-21-9-3-4-10-23(21)27(17-25(28)29)24(22)16-20/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,28,29)
InChIKeyUSMANGVIDLPHET-UHFFFAOYSA-N
XLogP4.79
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
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-phenoxypentoxy)carbazol-9-yl]acetic acid
CID 58948689
2-[2-[3-(3-propan-2-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948685
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
2-[2-[5-(3-propan-2-ylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948638
2-[2-[3-(4-methylsulfonylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948716
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235
2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948662
2-[2-[3-(2-acetamidophenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948678
2-[2-(hydroxymethoxy)carbazol-9-yl]acetic acid;methane;yttrium
CID 157189840
2-[2-[4-[(3-oxo-1,2-dihydroinden-5-yl)oxy]butoxy]carbazol-9-yl]acetic acid
CID 23627349
N,N-diethyl-2-[2-[4-(3-methylphenoxy)butoxy]carbazol-9-yl]acetamide
CID 69332968
2-[2-[5-(6-cyanonaphthalen-2-yl)oxypentoxy]carbazol-9-yl]acetic acid
CID 58948679

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid?
The IUPAC name of 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid (CID 58948620) is 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid?
The canonical SMILES for 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid is CN(C)c1cccc(OCCCOc2ccc3c4ccccc4n(CC(=O)O)c3c2)c1.
What is the InChIKey of 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid?
The InChIKey is USMANGVIDLPHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-26(2)18-7-5-8-19(15-18)30-13-6-14-31-20-11-12-22-21-9-3-4-10-23(21)27(17-25(28)29)24(22)16-20/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid?
2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid has a molecular weight of 418.49 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-(dimethylamino)phenoxy]propoxy]carbazol-9-yl]acetic acid is sourced from PubChem (CID 58948620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).