N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide

C16H21NO2 — CID 18360664

IUPACN-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1=CCc2ccc(O)cc21
InChIInChI=1S/C16H21NO2/c1-2-3-4-16(19)17-10-9-13-6-5-12-7-8-14(18)11-15(12)13/h6-8,11,18H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyYEGSZNJGJOBWNN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide

N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide (PubChem CID 18360664) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide
PubChem CID18360664
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCC1=CCc2ccc(O)cc21
InChIInChI=1S/C16H21NO2/c1-2-3-4-16(19)17-10-9-13-6-5-12-7-8-14(18)11-15(12)13/h6-8,11,18H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyYEGSZNJGJOBWNN-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[7-(pentanoylamino)heptyl]pentanamide
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N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
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N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
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N-[2-(6-hydroxy-3-methyl-2H-1,3-benzothiazol-2-yl)ethyl]pentanamide
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butyl 3-(3H-inden-1-yl)propanoate
CID 22758162

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide (CID 18360664) is N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide is CCCCC(=O)NCCC1=CCc2ccc(O)cc21.
What is the InChIKey of N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide?
The InChIKey is YEGSZNJGJOBWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-3-4-16(19)17-10-9-13-6-5-12-7-8-14(18)11-15(12)13/h6-8,11,18H,2-5,9-10H2,1H3,(H,17,19).
What are the key properties of N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide?
N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide has a molecular weight of 259.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide is sourced from PubChem (CID 18360664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).