2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid

C26H25NO5 — CID 15230247

IUPAC2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC2CC(=O)NOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO5/c28-24(16-20-14-15-22-21(20)12-7-13-23(22)31-17-25(29)30)27-32-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20,26H,14-17H2,(H,27,28)(H,29,30)
InChIKeyRNLQXIDXGMJACN-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.41
Rot. Bonds9

About 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid

2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid (PubChem CID 15230247) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
PubChem CID15230247
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC2CC(=O)NOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO5/c28-24(16-20-14-15-22-21(20)12-7-13-23(22)31-17-25(29)30)27-32-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20,26H,14-17H2,(H,27,28)(H,29,30)
InChIKeyRNLQXIDXGMJACN-UHFFFAOYSA-N
XLogP4.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688
2-[[6-[(E)-2-(benzhydryloxyamino)prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19377540
2-[[5-[3-(1,2-diphenylethylamino)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355334
2-[[6-[2-(benzhydryloxyamino)prop-1-enyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
CID 57017782
2-[[(5S,6S)-5-hydroxy-6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 173335440
2-[[6-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355372
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopentylacetamide
CID 63090820
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2-methylpropyl)acetamide
CID 63091712
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089577
2-[[5-[2-[[phenyl(pyridin-3-yl)methyl]amino]oxyethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 54471830
2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
CID 173335442
2-[[6-[2-(benzhydryloxyamino)propyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid
CID 19377463

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The IUPAC name of 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid (CID 15230247) is 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The canonical SMILES for 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCC2CC(=O)NOC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The InChIKey is RNLQXIDXGMJACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5/c28-24(16-20-14-15-22-21(20)12-7-13-23(22)31-17-25(29)30)27-32-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20,26H,14-17H2,(H,27,28)(H,29,30).
What are the key properties of 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid has a molecular weight of 431.49 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid is sourced from PubChem (CID 15230247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).