2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid

C23H33NO4 — CID 24970093

IUPAC2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc2c(c1OCCC1CCCCC1)CCCC2)C(=O)O
InChIInChI=1S/C23H33NO4/c1-23(2,22(26)27)24-21(25)19-13-12-17-10-6-7-11-18(17)20(19)28-15-14-16-8-4-3-5-9-16/h12-13,16H,3-11,14-15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyRVQOKKHTGALHFH-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.51
Rot. Bonds7

About 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid

2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 24970093) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
PubChem CID24970093
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc2c(c1OCCC1CCCCC1)CCCC2)C(=O)O
InChIInChI=1S/C23H33NO4/c1-23(2,22(26)27)24-21(25)19-13-12-17-10-6-7-11-18(17)20(19)28-15-14-16-8-4-3-5-9-16/h12-13,16H,3-11,14-15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyRVQOKKHTGALHFH-UHFFFAOYSA-N
XLogP4.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid (CID 24970093) is 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccc2c(c1OCCC1CCCCC1)CCCC2)C(=O)O.
What is the InChIKey of 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is RVQOKKHTGALHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-23(2,22(26)27)24-21(25)19-13-12-17-10-6-7-11-18(17)20(19)28-15-14-16-8-4-3-5-9-16/h12-13,16H,3-11,14-15H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 387.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclohexylethoxy)-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 24970093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).