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

C23H27NO3 — CID 100931985

IUPAC(2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@](O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H27NO3/c25-20-15-16-9-7-8-14-19(16)21(20)24-22(26)23(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1,3-4,7-11,14,18,20-21,25,27H,2,5-6,12-13,15H2,(H,24,26)/t20-,21+,23+/m0/s1
InChIKeyKVTBPSHGIRBNIM-QZNHQXDQSA-N
MW365.47 g/mol
LogP3.23
Rot. Bonds4

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

(2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide (PubChem CID 100931985) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
PubChem CID100931985
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@](O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H27NO3/c25-20-15-16-9-7-8-14-19(16)21(20)24-22(26)23(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1,3-4,7-11,14,18,20-21,25,27H,2,5-6,12-13,15H2,(H,24,26)/t20-,21+,23+/m0/s1
InChIKeyKVTBPSHGIRBNIM-QZNHQXDQSA-N
XLogP3.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103863044
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 103860628
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide
CID 10468467
1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
CID 107221873
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
2-amino-3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
CID 107222211
2-amino-3,3,3-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
CID 107221790
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
2-cyclopentyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 10810094
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107180479

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide (CID 100931985) is (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@](O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide?
The InChIKey is KVTBPSHGIRBNIM-QZNHQXDQSA-N. The full InChI is InChI=1S/C23H27NO3/c25-20-15-16-9-7-8-14-19(16)21(20)24-22(26)23(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1,3-4,7-11,14,18,20-21,25,27H,2,5-6,12-13,15H2,(H,24,26)/t20-,21+,23+/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide?
(2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide has a molecular weight of 365.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide is sourced from PubChem (CID 100931985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).