N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C23H36N2O2 — CID 110136118

IUPACN-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C23H36N2O2/c1-5-25(19(4)26)21-15-22(20-9-7-6-8-10-20)27-23(16-21)11-13-24(14-12-23)17-18(2)3/h6-10,18,21-22H,5,11-17H2,1-4H3/t21-,22-/m0/s1
InChIKeyLVEVYTLNTKSRSX-VXKWHMMOSA-N
MW372.55 g/mol
LogP4.27
Rot. Bonds5

About N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 110136118) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID110136118
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C23H36N2O2/c1-5-25(19(4)26)21-15-22(20-9-7-6-8-10-20)27-23(16-21)11-13-24(14-12-23)17-18(2)3/h6-10,18,21-22H,5,11-17H2,1-4H3/t21-,22-/m0/s1
InChIKeyLVEVYTLNTKSRSX-VXKWHMMOSA-N
XLogP4.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 110136118) is N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(CC(C)C)CC2)C1.
What is the InChIKey of N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is LVEVYTLNTKSRSX-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-5-25(19(4)26)21-15-22(20-9-7-6-8-10-20)27-23(16-21)11-13-24(14-12-23)17-18(2)3/h6-10,18,21-22H,5,11-17H2,1-4H3/t21-,22-/m0/s1.
What are the key properties of N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 372.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S,4S)-9-(2-methylpropyl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 110136118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).