2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

C19H26N2O3 — CID 164641729

IUPAC2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CC2(C[C@H](N3CCCC3)CO2)C1
InChIInChI=1S/C19H26N2O3/c22-18(13-23-11-16-6-2-1-3-7-16)21-14-19(15-21)10-17(12-24-19)20-8-4-5-9-20/h1-3,6-7,17H,4-5,8-15H2/t17-/m0/s1
InChIKeyMXLSUAGTMCYZCR-KRWDZBQOSA-N
MW330.43 g/mol
LogP1.67
Rot. Bonds5

About 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 164641729) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID164641729
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CC2(C[C@H](N3CCCC3)CO2)C1
InChIInChI=1S/C19H26N2O3/c22-18(13-23-11-16-6-2-1-3-7-16)21-14-19(15-21)10-17(12-24-19)20-8-4-5-9-20/h1-3,6-7,17H,4-5,8-15H2/t17-/m0/s1
InChIKeyMXLSUAGTMCYZCR-KRWDZBQOSA-N
XLogP1.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (CID 164641729) is 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(COCc1ccccc1)N1CC2(C[C@H](N3CCCC3)CO2)C1.
What is the InChIKey of 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is MXLSUAGTMCYZCR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(13-23-11-16-6-2-1-3-7-16)21-14-19(15-21)10-17(12-24-19)20-8-4-5-9-20/h1-3,6-7,17H,4-5,8-15H2/t17-/m0/s1.
What are the key properties of 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 164641729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).