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

C18H19NO2 — CID 22857039

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C18H19NO2/c20-16-12-14-8-4-5-9-15(14)18(16)19-17(21)11-10-13-6-2-1-3-7-13/h1-9,16,18,20H,10-12H2,(H,19,21)/t16-,18+/m1/s1
InChIKeyCAYYHYXTIWYVOR-AEFFLSMTSA-N
MW281.35 g/mol
LogP2.39
Rot. Bonds4

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide (PubChem CID 22857039) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
PubChem CID22857039
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C18H19NO2/c20-16-12-14-8-4-5-9-15(14)18(16)19-17(21)11-10-13-6-2-1-3-7-13/h1-9,16,18,20H,10-12H2,(H,19,21)/t16-,18+/m1/s1
InChIKeyCAYYHYXTIWYVOR-AEFFLSMTSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide (CID 22857039) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide?
The InChIKey is CAYYHYXTIWYVOR-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H19NO2/c20-16-12-14-8-4-5-9-15(14)18(16)19-17(21)11-10-13-6-2-1-3-7-13/h1-9,16,18,20H,10-12H2,(H,19,21)/t16-,18+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide has a molecular weight of 281.35 g/mol, XLogP of 2.39, 4 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]-3-phenylpropanamide is sourced from PubChem (CID 22857039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).