1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid

C24H22FNO5 — CID 24769330

IUPAC1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc2ccccc2c1OCCOc1ccc(F)cc1
InChIInChI=1S/C24H22FNO5/c25-17-7-9-18(10-8-17)30-14-15-31-21-19-5-2-1-4-16(19)6-11-20(21)22(27)26-24(23(28)29)12-3-13-24/h1-2,4-11H,3,12-15H2,(H,26,27)(H,28,29)
InChIKeyKTSRPYYTSZQQEJ-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.17
Rot. Bonds8

About 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 24769330) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID24769330
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Name1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc2ccccc2c1OCCOc1ccc(F)cc1
InChIInChI=1S/C24H22FNO5/c25-17-7-9-18(10-8-17)30-14-15-31-21-19-5-2-1-4-16(19)6-11-20(21)22(27)26-24(23(28)29)12-3-13-24/h1-2,4-11H,3,12-15H2,(H,26,27)(H,28,29)
InChIKeyKTSRPYYTSZQQEJ-UHFFFAOYSA-N
XLogP4.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 24769330) is 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1ccc2ccccc2c1OCCOc1ccc(F)cc1.
What is the InChIKey of 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is KTSRPYYTSZQQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c25-17-7-9-18(10-8-17)30-14-15-31-21-19-5-2-1-4-16(19)6-11-20(21)22(27)26-24(23(28)29)12-3-13-24/h1-2,4-11H,3,12-15H2,(H,26,27)(H,28,29).
What are the key properties of 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 423.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(4-fluorophenoxy)ethoxy]naphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 24769330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).