(6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one

C23H32N2O3 — CID 166107392

IUPAC(6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=C[C@H]1CN[C@@H](COC2CCC(c3ccccc3)CC2)[C@]2(COCC(=O)N2)C1
InChIInChI=1S/C23H32N2O3/c1-2-17-12-23(16-27-15-22(26)25-23)21(24-13-17)14-28-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h2-7,17,19-21,24H,1,8-16H2,(H,25,26)/t17-,19?,20?,21+,23-/m1/s1
InChIKeyQJINYRJPKSXVJI-ATLMERFHSA-N
MW384.52 g/mol
LogP2.78
Rot. Bonds5

About (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one

(6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 166107392) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID166107392
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name(6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=C[C@H]1CN[C@@H](COC2CCC(c3ccccc3)CC2)[C@]2(COCC(=O)N2)C1
InChIInChI=1S/C23H32N2O3/c1-2-17-12-23(16-27-15-22(26)25-23)21(24-13-17)14-28-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h2-7,17,19-21,24H,1,8-16H2,(H,25,26)/t17-,19?,20?,21+,23-/m1/s1
InChIKeyQJINYRJPKSXVJI-ATLMERFHSA-N
XLogP2.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 166107536
2,3-dimethyl-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107543
N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
CID 166107406
(1S,5R)-N-ethyl-7-oxo-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
CID 166107713
(1R,3R,5S)-3-methyl-2-(1-methyltetrazol-5-yl)-1-[(4-phenylcyclohexyl)oxymethyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
CID 166107697
4-[2-[4-[[(1R,5S)-7-oxo-9-oxa-2,6-diazaspiro[4.5]decan-1-yl]methoxy]cyclohexyl]phenoxy]butanoic acid
CID 175966609
7-[[4-(3-fluoro-2-hydroxyphenyl)cyclohexyl]oxymethyl]-2-oxo-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylic acid
CID 175966522
[2-[4-[(8-methyl-2-oxo-4-oxa-1,8-diazaspiro[5.5]undecan-7-yl)methoxy]cyclohexyl]phenyl] trifluoromethanesulfonate
CID 170605651
2-(4-phenylcyclohexyl)oxyethyl prop-2-enoate
CID 171717408
[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
(3R,6R,7S)-N-ethyl-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 166107524
tert-butyl 2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 166107607

Frequently Asked Questions

What is the IUPAC name of (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one (CID 166107392) is (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one is C=C[C@H]1CN[C@@H](COC2CCC(c3ccccc3)CC2)[C@]2(COCC(=O)N2)C1.
What is the InChIKey of (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is QJINYRJPKSXVJI-ATLMERFHSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-2-17-12-23(16-27-15-22(26)25-23)21(24-13-17)14-28-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h2-7,17,19-21,24H,1,8-16H2,(H,25,26)/t17-,19?,20?,21+,23-/m1/s1.
What are the key properties of (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one?
(6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 384.52 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R,10S)-10-ethenyl-7-[(4-phenylcyclohexyl)oxymethyl]-4-oxa-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 166107392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).