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

C14H19NO3 — CID 103862985

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C14H19NO3/c1-9(2)18-8-13(17)15-14-11-6-4-3-5-10(11)7-12(14)16/h3-6,9,12,14,16H,7-8H2,1-2H3,(H,15,17)/t12-,14+/m1/s1
InChIKeyPULDTWCKROFULK-OCCSQVGLSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds4

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide (PubChem CID 103862985) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide
PubChem CID103862985
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C14H19NO3/c1-9(2)18-8-13(17)15-14-11-6-4-3-5-10(11)7-12(14)16/h3-6,9,12,14,16H,7-8H2,1-2H3,(H,15,17)/t12-,14+/m1/s1
InChIKeyPULDTWCKROFULK-OCCSQVGLSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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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-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
CID 111696445
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
5-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107221816
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
2-propan-2-yloxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 112686633
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide (CID 103862985) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide is CC(C)OCC(=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]-2-propan-2-yloxyacetamide?
The InChIKey is PULDTWCKROFULK-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)18-8-13(17)15-14-11-6-4-3-5-10(11)7-12(14)16/h3-6,9,12,14,16H,7-8H2,1-2H3,(H,15,17)/t12-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide has a molecular weight of 249.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 103862985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).