N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide

C16H23NO2 — CID 11076229

IUPACN-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)C(C)C)CC2
InChIInChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeySOXXIXGGIULERY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide

N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide (PubChem CID 11076229) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide
PubChem CID11076229
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)C(C)C)CC2
InChIInChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeySOXXIXGGIULERY-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide (CID 11076229) is N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide is COc1ccc2c(c1)C(CCNC(=O)C(C)C)CC2.
What is the InChIKey of N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide?
The InChIKey is SOXXIXGGIULERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide?
N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 11076229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).