N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide

C16H20N2O3 — CID 76984645

IUPACN-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide
SMILESO=C(COc1cccc2c1CCC2=NO)NC1CCCC1
InChIInChI=1S/C16H20N2O3/c19-16(17-11-4-1-2-5-11)10-21-15-7-3-6-12-13(15)8-9-14(12)18-20/h3,6-7,11,20H,1-2,4-5,8-10H2,(H,17,19)
InChIKeyJDLWQTRPCWLMAR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.25
Rot. Bonds4

About N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide

N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide (PubChem CID 76984645) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide
PubChem CID76984645
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide
SMILESO=C(COc1cccc2c1CCC2=NO)NC1CCCC1
InChIInChI=1S/C16H20N2O3/c19-16(17-11-4-1-2-5-11)10-21-15-7-3-6-12-13(15)8-9-14(12)18-20/h3,6-7,11,20H,1-2,4-5,8-10H2,(H,17,19)
InChIKeyJDLWQTRPCWLMAR-UHFFFAOYSA-N
XLogP2.25
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.25
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-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385132
N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
CID 77067617
N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide
CID 76984578
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopentylacetamide
CID 63090820
N-cyclopentyl-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103045089
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
N-cyclopropyl-2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
CID 63091231
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-cyclohexyl-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 2152155
N-cyclopropyl-2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 65455358
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide (CID 76984645) is N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide is O=C(COc1cccc2c1CCC2=NO)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide?
The InChIKey is JDLWQTRPCWLMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-16(17-11-4-1-2-5-11)10-21-15-7-3-6-12-13(15)8-9-14(12)18-20/h3,6-7,11,20H,1-2,4-5,8-10H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide?
N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide is sourced from PubChem (CID 76984645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).