2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide

C14H19NO2 — CID 82041277

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
SMILESCC(C)C(Oc1ccc2c(c1)CCC2)C(N)=O
InChIInChI=1S/C14H19NO2/c1-9(2)13(14(15)16)17-12-7-6-10-4-3-5-11(10)8-12/h6-9,13H,3-5H2,1-2H3,(H2,15,16)
InChIKeyZJGQAPCICWDMIU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide

2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide (PubChem CID 82041277) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
PubChem CID82041277
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
SMILESCC(C)C(Oc1ccc2c(c1)CCC2)C(N)=O
InChIInChI=1S/C14H19NO2/c1-9(2)13(14(15)16)17-12-7-6-10-4-3-5-11(10)8-12/h6-9,13H,3-5H2,1-2H3,(H2,15,16)
InChIKeyZJGQAPCICWDMIU-UHFFFAOYSA-N
XLogP2.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate
CID 82116252
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide
CID 76914985
4-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 64719056
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanehydrazide
CID 55214976
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide (CID 82041277) is 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide is CC(C)C(Oc1ccc2c(c1)CCC2)C(N)=O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide?
The InChIKey is ZJGQAPCICWDMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)13(14(15)16)17-12-7-6-10-4-3-5-11(10)8-12/h6-9,13H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide is sourced from PubChem (CID 82041277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).