2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C19H28N2O3 — CID 97150357

IUPAC2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCN(CC(=O)N1CCC2(CC1)OCCC[C@@H]2O)Cc1ccccc1
InChIInChI=1S/C19H28N2O3/c1-20(14-16-6-3-2-4-7-16)15-18(23)21-11-9-19(10-12-21)17(22)8-5-13-24-19/h2-4,6-7,17,22H,5,8-15H2,1H3/t17-/m0/s1
InChIKeyZMZNXRVUUCZERM-KRWDZBQOSA-N
MW332.44 g/mol
LogP1.65
Rot. Bonds4

About 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 97150357) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID97150357
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCN(CC(=O)N1CCC2(CC1)OCCC[C@@H]2O)Cc1ccccc1
InChIInChI=1S/C19H28N2O3/c1-20(14-16-6-3-2-4-7-16)15-18(23)21-11-9-19(10-12-21)17(22)8-5-13-24-19/h2-4,6-7,17,22H,5,8-15H2,1H3/t17-/m0/s1
InChIKeyZMZNXRVUUCZERM-KRWDZBQOSA-N
XLogP1.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 97150357) is 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is CN(CC(=O)N1CCC2(CC1)OCCC[C@@H]2O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is ZMZNXRVUUCZERM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20(14-16-6-3-2-4-7-16)15-18(23)21-11-9-19(10-12-21)17(22)8-5-13-24-19/h2-4,6-7,17,22H,5,8-15H2,1H3/t17-/m0/s1.
What are the key properties of 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 332.44 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 97150357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).