N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide

C20H20N2O3 — CID 111798653

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
SMILESO=C(N[C@H](CO)c1ccccc1)C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C20H20N2O3/c23-12-16(14-6-2-1-3-7-14)21-18(24)19(25)22-13-20(10-11-20)15-8-4-5-9-17(15)22/h1-9,16,23H,10-13H2,(H,21,24)/t16-/m1/s1
InChIKeyNQANERJIZYZCSO-MRXNPFEDSA-N
MW336.39 g/mol
LogP1.91
Rot. Bonds3

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide (PubChem CID 111798653) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
PubChem CID111798653
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
SMILESO=C(N[C@H](CO)c1ccccc1)C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C20H20N2O3/c23-12-16(14-6-2-1-3-7-14)21-18(24)19(25)22-13-20(10-11-20)15-8-4-5-9-17(15)22/h1-9,16,23H,10-13H2,(H,21,24)/t16-/m1/s1
InChIKeyNQANERJIZYZCSO-MRXNPFEDSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
CID 111444365
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol
CID 151564587
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide
CID 167857598
2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
CID 167776266
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
N-[(1R)-2-hydroxy-1-phenylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50984628
(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclohexane]-1-ylpropane-1,2-diol
CID 69158922
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide (CID 111798653) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide is O=C(N[C@H](CO)c1ccccc1)C(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The InChIKey is NQANERJIZYZCSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-12-16(14-6-2-1-3-7-14)21-18(24)19(25)22-13-20(10-11-20)15-8-4-5-9-17(15)22/h1-9,16,23H,10-13H2,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide has a molecular weight of 336.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide is sourced from PubChem (CID 111798653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).