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

C17H17NO3 — CID 97237159

IUPAC(2S)-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@@H](O)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-14-10-12-8-4-5-9-13(12)15(14)18-17(21)16(20)11-6-2-1-3-7-11/h1-9,14-16,19-20H,10H2,(H,18,21)/t14-,15+,16-/m0/s1
InChIKeyNNNVMUVMTCGJJX-XHSDSOJGSA-N
MW283.33 g/mol
LogP1.49
Rot. Bonds3

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

(2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide (PubChem CID 97237159) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
PubChem CID97237159
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2S)-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@@H](O)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-14-10-12-8-4-5-9-13(12)15(14)18-17(21)16(20)11-6-2-1-3-7-11/h1-9,14-16,19-20H,10H2,(H,18,21)/t14-,15+,16-/m0/s1
InChIKeyNNNVMUVMTCGJJX-XHSDSOJGSA-N
XLogP1.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
2-ethoxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 136518623
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
(2R,3S,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide
CID 5327434
N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 110882312
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)propanamide
CID 111696460
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 59923169
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110903499
[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 69464316
(2S,6S)-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,6-bis(phenylmethoxy)heptanediamide
CID 10794328
2-acetamido-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103819065

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide (CID 97237159) is (2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-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@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide?
The InChIKey is NNNVMUVMTCGJJX-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H17NO3/c19-14-10-12-8-4-5-9-13(12)15(14)18-17(21)16(20)11-6-2-1-3-7-11/h1-9,14-16,19-20H,10H2,(H,18,21)/t14-,15+,16-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide?
(2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide has a molecular weight of 283.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide is sourced from PubChem (CID 97237159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).