8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H30N2O3 — CID 95880603

IUPAC8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCC[C@H](C)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2
InChIInChI=1S/C20H30N2O3/c1-17(9-15-24-2)21-13-10-20(11-14-21)16-22(19(23)25-20)12-8-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3/t17-/m0/s1
InChIKeyWMGXHLVUSMAEMJ-KRWDZBQOSA-N
MW346.47 g/mol
LogP2.94
Rot. Bonds7

About 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95880603) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95880603
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCC[C@H](C)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2
InChIInChI=1S/C20H30N2O3/c1-17(9-15-24-2)21-13-10-20(11-14-21)16-22(19(23)25-20)12-8-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3/t17-/m0/s1
InChIKeyWMGXHLVUSMAEMJ-KRWDZBQOSA-N
XLogP2.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95880603) is 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCC[C@H](C)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2.
What is the InChIKey of 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WMGXHLVUSMAEMJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-17(9-15-24-2)21-13-10-20(11-14-21)16-22(19(23)25-20)12-8-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 346.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-4-methoxybutan-2-yl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95880603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).