(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide

C18H25NO3 — CID 97235901

IUPAC(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
SMILESO=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H25NO3/c20-16(14-7-3-1-4-8-14)17(21)19-15-9-12-22-18(13-15)10-5-2-6-11-18/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,19,21)/t15-,16+/m1/s1
InChIKeyGKYGVJLSSCMRIG-CVEARBPZSA-N
MW303.40 g/mol
LogP2.72
Rot. Bonds3

About (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide

(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide (PubChem CID 97235901) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
PubChem CID97235901
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
SMILESO=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H25NO3/c20-16(14-7-3-1-4-8-14)17(21)19-15-9-12-22-18(13-15)10-5-2-6-11-18/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,19,21)/t15-,16+/m1/s1
InChIKeyGKYGVJLSSCMRIG-CVEARBPZSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid
CID 79901122
1-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-3-(3-phenylprop-2-ynyl)urea
CID 97235497
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86770976
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
CID 116551165
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-(4-phenoxybutyl)urea
CID 98559377
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124617715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide (CID 97235901) is (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide is O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide?
The InChIKey is GKYGVJLSSCMRIG-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25NO3/c20-16(14-7-3-1-4-8-14)17(21)19-15-9-12-22-18(13-15)10-5-2-6-11-18/h1,3-4,7-8,15-16,20H,2,5-6,9-13H2,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide?
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide has a molecular weight of 303.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide is sourced from PubChem (CID 97235901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).