N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide

C16H23NO2 — CID 22922665

IUPACN-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CCc2cc(OC)ccc21
InChIInChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-12-5-6-13-11-14(19-2)7-8-15(12)13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyFHJWYBQHWNPALE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide

N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide (PubChem CID 22922665) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
PubChem CID22922665
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CCc2cc(OC)ccc21
InChIInChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-12-5-6-13-11-14(19-2)7-8-15(12)13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyFHJWYBQHWNPALE-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
methyl 3-[2-(butanoylamino)ethyl]-2,3-dihydro-1H-indene-5-carboxylate
CID 22922688
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
N-[2-(6-propoxy-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 10912753
N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide
CID 67629054
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-N-propylpropanamide
CID 47072021
[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate
CID 90842495
N-[2-(6-methyl-2,3-dihydro-1H-inden-1-yl)ethyl]propanamide
CID 143796011
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide (CID 22922665) is N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide is CCCC(=O)NCCC1CCc2cc(OC)ccc21.
What is the InChIKey of N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide?
The InChIKey is FHJWYBQHWNPALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-12-5-6-13-11-14(19-2)7-8-15(12)13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide?
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide has a molecular weight of 261.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide is sourced from PubChem (CID 22922665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).