N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C18H30N2O4 — CID 110125000

IUPACN-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)OC[C@]1(C)O
InChIInChI=1S/C18H30N2O4/c1-13(21)19-15-11-18(24-12-17(15,2)23)7-9-20(10-8-18)16(22)14-5-3-4-6-14/h14-15,23H,3-12H2,1-2H3,(H,19,21)/t15-,17-/m0/s1
InChIKeyZIURWYJRSDDPGB-RDJZCZTQSA-N
MW338.45 g/mol
LogP1.21
Rot. Bonds2

About N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 110125000) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID110125000
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)OC[C@]1(C)O
InChIInChI=1S/C18H30N2O4/c1-13(21)19-15-11-18(24-12-17(15,2)23)7-9-20(10-8-18)16(22)14-5-3-4-6-14/h14-15,23H,3-12H2,1-2H3,(H,19,21)/t15-,17-/m0/s1
InChIKeyZIURWYJRSDDPGB-RDJZCZTQSA-N
XLogP1.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-3-hydroxy-3-methyl-9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110124997
N-[(3R,4S)-3-hydroxy-3-methyl-9-(2-pyrazol-1-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110125008
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
N-[(3R,4S)-9-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110164227
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114
N-[(3R,4S)-9-[2-(1,2-dimethylindol-5-yl)oxyacetyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110164224
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053
1-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-imidazol-1-ylethanone
CID 110124931
[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 110124950
1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250882
N-[(3S,4S)-4-hydroxy-4-methyl-9-(pyridazine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-3-yl]cyclobutanecarboxamide
CID 165426143

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 110125000) is N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N[C@H]1CC2(CCN(C(=O)C3CCCC3)CC2)OC[C@]1(C)O.
What is the InChIKey of N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is ZIURWYJRSDDPGB-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-13(21)19-15-11-18(24-12-17(15,2)23)7-9-20(10-8-18)16(22)14-5-3-4-6-14/h14-15,23H,3-12H2,1-2H3,(H,19,21)/t15-,17-/m0/s1.
What are the key properties of N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-9-(cyclopentanecarbonyl)-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 110125000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).