(6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate

C15H19NO3 — CID 139847394

IUPAC(6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate
SMILESCC(=O)Nc1ccc2c(c1)C(OC(C)=O)CC2(C)C
InChIInChI=1S/C15H19NO3/c1-9(17)16-11-5-6-13-12(7-11)14(19-10(2)18)8-15(13,3)4/h5-7,14H,8H2,1-4H3,(H,16,17)
InChIKeyVUIIJQOADJKIEL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.93
Rot. Bonds2

About (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate

(6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate (PubChem CID 139847394) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate.

Molecular Properties

Compound Name(6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate
PubChem CID139847394
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate
SMILESCC(=O)Nc1ccc2c(c1)C(OC(C)=O)CC2(C)C
InChIInChI=1S/C15H19NO3/c1-9(17)16-11-5-6-13-12(7-11)14(19-10(2)18)8-15(13,3)4/h5-7,14H,8H2,1-4H3,(H,16,17)
InChIKeyVUIIJQOADJKIEL-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[(3R)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]acetamide
CID 100656265
N-(3-methyl-2,3-dihydro-1H-indol-5-yl)acetamide
CID 119085478
N-[(1aR,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]acetamide
CID 129383167
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-(3-acetamidophenyl)-4-amino-2,2,6,6-tetramethylpiperidine-1-carboxamide
CID 108884129
N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide
CID 54195736
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-4-yl)acetamide
CID 155554187
N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide
CID 171129746
N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide
CID 22122746

Frequently Asked Questions

What is the IUPAC name of (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate?
The IUPAC name of (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate (CID 139847394) is (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate.
What is the SMILES notation for (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate?
The canonical SMILES for (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate is CC(=O)Nc1ccc2c(c1)C(OC(C)=O)CC2(C)C.
What is the InChIKey of (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate?
The InChIKey is VUIIJQOADJKIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(17)16-11-5-6-13-12(7-11)14(19-10(2)18)8-15(13,3)4/h5-7,14H,8H2,1-4H3,(H,16,17).
What are the key properties of (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate?
(6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate has a molecular weight of 261.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate is sourced from PubChem (CID 139847394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).