2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide

C18H25NO3 — CID 17249161

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide
SMILESCCC(Oc1ccc2c(c1)CCC2)C(=O)NCC1CCCO1
InChIInChI=1S/C18H25NO3/c1-2-17(18(20)19-12-16-7-4-10-21-16)22-15-9-8-13-5-3-6-14(13)11-15/h8-9,11,16-17H,2-7,10,12H2,1H3,(H,19,20)
InChIKeyHBYXOTFHLREUDH-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.63
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 17249161) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID17249161
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide
SMILESCCC(Oc1ccc2c(c1)CCC2)C(=O)NCC1CCCO1
InChIInChI=1S/C18H25NO3/c1-2-17(18(20)19-12-16-7-4-10-21-16)22-15-9-8-13-5-3-6-14(13)11-15/h8-9,11,16-17H,2-7,10,12H2,1H3,(H,19,20)
InChIKeyHBYXOTFHLREUDH-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide (CID 17249161) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide is CCC(Oc1ccc2c(c1)CCC2)C(=O)NCC1CCCO1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is HBYXOTFHLREUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-17(18(20)19-12-16-7-4-10-21-16)22-15-9-8-13-5-3-6-14(13)11-15/h8-9,11,16-17H,2-7,10,12H2,1H3,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 303.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 17249161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).