N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide

C14H19NO3 — CID 111696445

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C14H19NO3/c1-2-7-18-9-13(17)15-14-11-6-4-3-5-10(11)8-12(14)16/h3-6,12,14,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyYVCVSCXUGGWPOM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds5

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide (PubChem CID 111696445) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
PubChem CID111696445
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C14H19NO3/c1-2-7-18-9-13(17)15-14-11-6-4-3-5-10(11)8-12(14)16/h3-6,12,14,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyYVCVSCXUGGWPOM-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide
CID 103862985
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103816720
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406
2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 61368363
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103209205
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide (CID 111696445) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide is CCCOCC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide?
The InChIKey is YVCVSCXUGGWPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-7-18-9-13(17)15-14-11-6-4-3-5-10(11)8-12(14)16/h3-6,12,14,16H,2,7-9H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide has a molecular weight of 249.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide is sourced from PubChem (CID 111696445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).