N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide

C16H19NO3 — CID 51446448

IUPACN-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
SMILESCc1ccc(OCC(=O)NC2CC2)c2c1[C@@H](C)CC2=O
InChIInChI=1S/C16H19NO3/c1-9-3-6-13(16-12(18)7-10(2)15(9)16)20-8-14(19)17-11-4-5-11/h3,6,10-11H,4-5,7-8H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyCZRJOLXCCWHNTE-JTQLQIEISA-N
MW273.33 g/mol
LogP2.34
Rot. Bonds4

About N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide

N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide (PubChem CID 51446448) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
PubChem CID51446448
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
SMILESCc1ccc(OCC(=O)NC2CC2)c2c1[C@@H](C)CC2=O
InChIInChI=1S/C16H19NO3/c1-9-3-6-13(16-12(18)7-10(2)15(9)16)20-8-14(19)17-11-4-5-11/h3,6,10-11H,4-5,7-8H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyCZRJOLXCCWHNTE-JTQLQIEISA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 25485900
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 167802037
N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369441
N'-[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 42944086
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-(3-bromo-4,5-difluorophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369752
3,4-dimethyl-7-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
CID 47015857
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 42927570
N-[5-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 167895405
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 167420894

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide (CID 51446448) is N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide is Cc1ccc(OCC(=O)NC2CC2)c2c1[C@@H](C)CC2=O.
What is the InChIKey of N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
The InChIKey is CZRJOLXCCWHNTE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-3-6-13(16-12(18)7-10(2)15(9)16)20-8-14(19)17-11-4-5-11/h3,6,10-11H,4-5,7-8H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide?
N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide is sourced from PubChem (CID 51446448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).