2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide

C15H20N2O3 — CID 107684293

IUPAC2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C15H20N2O3/c1-3-8-16-15(18)10(2)20-12-5-6-13-11(9-12)4-7-14(13)17-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,16,18)/b17-14+
InChIKeyFILILFZJNLAAGQ-SAPNQHFASA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds5

About 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide

2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide (PubChem CID 107684293) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide
PubChem CID107684293
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C15H20N2O3/c1-3-8-16-15(18)10(2)20-12-5-6-13-11(9-12)4-7-14(13)17-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,16,18)/b17-14+
InChIKeyFILILFZJNLAAGQ-SAPNQHFASA-N
XLogP2.10
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 104982164
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
N-(ethylcarbamoyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 107684125
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802
2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
CID 82914816
(2R)-N-[2-(4-propylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100563802
N-[2-(4-propylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185610
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(NZ)-N-[5-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684224

Frequently Asked Questions

What is the IUPAC name of 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide?
The IUPAC name of 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide (CID 107684293) is 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide.
What is the SMILES notation for 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide?
The canonical SMILES for 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc2c(c1)CC/C2=N\O.
What is the InChIKey of 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide?
The InChIKey is FILILFZJNLAAGQ-SAPNQHFASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-8-16-15(18)10(2)20-12-5-6-13-11(9-12)4-7-14(13)17-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,16,18)/b17-14+.
What are the key properties of 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide?
2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-N-propylpropanamide is sourced from PubChem (CID 107684293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).