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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide
CID 56806025
1-(4-(2-((Benzyloxy)methyl)pyrrolidin-1-yl)piperidin-1-yl)pent-4-en-1-one
CID 86264498
1-[3-[Ethyl-(1-methylpiperidin-4-yl)amino]azetidin-1-yl]-2-phenylmethoxyethanone
CID 124062194
1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]ethanone
CID 124750870
1-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 129356588
1-[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 164632809
1-[(3S,4S)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 164633571
1-[(7S)-7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-phenylmethoxyethanone
CID 164637549
2-(2-methoxyethoxy)-1-[(3S)-3-phenylmethoxypyrrolidin-1-yl]ethanone
CID 164638353
(3R,4S)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
CID 11220816
1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 13926786

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).