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

C21H30N2O5 — CID 110152972

IUPACN-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2ccc(OCCO)cc2)OC2(CCN(C(C)=O)CC2)C1
InChIInChI=1S/C21H30N2O5/c1-15(25)22-18-13-20(17-3-5-19(6-4-17)27-12-11-24)28-21(14-18)7-9-23(10-8-21)16(2)26/h3-6,18,20,24H,7-14H2,1-2H3,(H,22,25)/t18-,20-/m1/s1
InChIKeyPRRJPMZBVAGPBP-UYAOXDASSA-N
MW390.48 g/mol
LogP1.79
Rot. Bonds5

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

N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 110152972) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID110152972
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC NameN-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](c2ccc(OCCO)cc2)OC2(CCN(C(C)=O)CC2)C1
InChIInChI=1S/C21H30N2O5/c1-15(25)22-18-13-20(17-3-5-19(6-4-17)27-12-11-24)28-21(14-18)7-9-23(10-8-21)16(2)26/h3-6,18,20,24H,7-14H2,1-2H3,(H,22,25)/t18-,20-/m1/s1
InChIKeyPRRJPMZBVAGPBP-UYAOXDASSA-N
XLogP1.79
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 110152972) is N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](c2ccc(OCCO)cc2)OC2(CCN(C(C)=O)CC2)C1.
What is the InChIKey of N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is PRRJPMZBVAGPBP-UYAOXDASSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-15(25)22-18-13-20(17-3-5-19(6-4-17)27-12-11-24)28-21(14-18)7-9-23(10-8-21)16(2)26/h3-6,18,20,24H,7-14H2,1-2H3,(H,22,25)/t18-,20-/m1/s1.
What are the key properties of N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-9-acetyl-2-[4-(2-hydroxyethoxy)phenyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 110152972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).