N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide

C17H25NO2 — CID 103816825

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
SMILESCCCCCCCC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C17H25NO2/c1-2-3-4-5-6-11-16(20)18-17-14-10-8-7-9-13(14)12-15(17)19/h7-10,15,17,19H,2-6,11-12H2,1H3,(H,18,20)/t15-,17+/m1/s1
InChIKeyDJJMLWDAUCMQME-WBVHZDCISA-N
MW275.39 g/mol
LogP3.12
Rot. Bonds7

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide (PubChem CID 103816825) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
PubChem CID103816825
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
SMILESCCCCCCCC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C17H25NO2/c1-2-3-4-5-6-11-16(20)18-17-14-10-8-7-9-13(14)12-15(17)19/h7-10,15,17,19H,2-6,11-12H2,1H3,(H,18,20)/t15-,17+/m1/s1
InChIKeyDJJMLWDAUCMQME-WBVHZDCISA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2,3-dihydro-1H-inden-1-yl)nonanamide
CID 65426628
5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 107910801
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hept-6-ynamide
CID 103909354
2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 61368363
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylsulfonylpropanamide
CID 61366824
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
CID 111696445
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 107222190
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide (CID 103816825) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide is CCCCCCCC(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide?
The InChIKey is DJJMLWDAUCMQME-WBVHZDCISA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-4-5-6-11-16(20)18-17-14-10-8-7-9-13(14)12-15(17)19/h7-10,15,17,19H,2-6,11-12H2,1H3,(H,18,20)/t15-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide has a molecular weight of 275.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide is sourced from PubChem (CID 103816825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).