N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C19H25ClN2O3 — CID 110134120

IUPACN-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2ccccc2Cl)OC2(CCN(C(C)=O)CC2)C1
InChIInChI=1S/C19H25ClN2O3/c1-13(23)21-15-11-18(16-5-3-4-6-17(16)20)25-19(12-15)7-9-22(10-8-19)14(2)24/h3-6,15,18H,7-12H2,1-2H3,(H,21,23)/t15-,18-/m1/s1
InChIKeyFXTHBRLSQROQPF-CRAIPNDOSA-N
MW364.87 g/mol
LogP3.08
Rot. Bonds2

About N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 110134120) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID110134120
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC NameN-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2ccccc2Cl)OC2(CCN(C(C)=O)CC2)C1
InChIInChI=1S/C19H25ClN2O3/c1-13(23)21-15-11-18(16-5-3-4-6-17(16)20)25-19(12-15)7-9-22(10-8-19)14(2)24/h3-6,15,18H,7-12H2,1-2H3,(H,21,23)/t15-,18-/m1/s1
InChIKeyFXTHBRLSQROQPF-CRAIPNDOSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 110134120) is N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](c2ccccc2Cl)OC2(CCN(C(C)=O)CC2)C1.
What is the InChIKey of N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is FXTHBRLSQROQPF-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-13(23)21-15-11-18(16-5-3-4-6-17(16)20)25-19(12-15)7-9-22(10-8-19)14(2)24/h3-6,15,18H,7-12H2,1-2H3,(H,21,23)/t15-,18-/m1/s1.
What are the key properties of N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 364.87 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 110134120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).