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

C15H21NO — CID 143796011

IUPACN-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc(C)cc21
InChIInChI=1S/C15H21NO/c1-3-15(17)16-9-8-13-7-6-12-5-4-11(2)10-14(12)13/h4-5,10,13H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyYBBMVIFSIALIQN-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds4

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

N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide (PubChem CID 143796011) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
PubChem CID143796011
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc(C)cc21
InChIInChI=1S/C15H21NO/c1-3-15(17)16-9-8-13-7-6-12-5-4-11(2)10-14(12)13/h4-5,10,13H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyYBBMVIFSIALIQN-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide (CID 143796011) is N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc(C)cc21.
What is the InChIKey of N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide?
The InChIKey is YBBMVIFSIALIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-15(17)16-9-8-13-7-6-12-5-4-11(2)10-14(12)13/h4-5,10,13H,3,6-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide?
N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide has a molecular weight of 231.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide is sourced from PubChem (CID 143796011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).