N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide

C16H23NO — CID 138984379

IUPACN-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCC(=O)Nc1c([C@H](C)C(C)C)ccc2c1CCC2
InChIInChI=1S/C16H23NO/c1-10(2)11(3)14-9-8-13-6-5-7-15(13)16(14)17-12(4)18/h8-11H,5-7H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyIOHVNLJSZYTMDL-LLVKDONJSA-N
MW245.37 g/mol
LogP3.89
Rot. Bonds3

About N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide

N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide (PubChem CID 138984379) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide
PubChem CID138984379
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCC(=O)Nc1c([C@H](C)C(C)C)ccc2c1CCC2
InChIInChI=1S/C16H23NO/c1-10(2)11(3)14-9-8-13-6-5-7-15(13)16(14)17-12(4)18/h8-11H,5-7H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyIOHVNLJSZYTMDL-LLVKDONJSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 137443462
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
1-trimethylsilylethyl N-[2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]carbamate
CID 70439150
1-(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfonyl)-3-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 156857503
5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol
CID 175232409
2,3-dihydro-1H-indene-4,5-dicarboxylic acid
CID 22035348
5-methyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59613678
ethyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)propanoate;ethyl (2R)-2-hydroxypropanoate
CID 158499287
N-(4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetamide
CID 25140754
diethyl-[(2S)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1-oxopropan-2-yl]azanium
CID 6947938
N-(6-tricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaenyl)acetamide
CID 626194

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide?
The IUPAC name of N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide (CID 138984379) is N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide.
What is the SMILES notation for N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide?
The canonical SMILES for N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide is CC(=O)Nc1c([C@H](C)C(C)C)ccc2c1CCC2.
What is the InChIKey of N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide?
The InChIKey is IOHVNLJSZYTMDL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23NO/c1-10(2)11(3)14-9-8-13-6-5-7-15(13)16(14)17-12(4)18/h8-11H,5-7H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide?
N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide has a molecular weight of 245.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-3-methylbutan-2-yl]-2,3-dihydro-1H-inden-4-yl]acetamide is sourced from PubChem (CID 138984379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).