(4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C18H26N2O3 — CID 98776863

IUPAC(4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCOC[C@H]1CCC[C@]12CN(C(=O)NCc1ccccc1)CCO2
InChIInChI=1S/C18H26N2O3/c1-22-13-16-8-5-9-18(16)14-20(10-11-23-18)17(21)19-12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,19,21)/t16-,18+/m1/s1
InChIKeyNHLZOVICVAHHKT-AEFFLSMTSA-N
MW318.42 g/mol
LogP2.41
Rot. Bonds4

About (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

(4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 98776863) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID98776863
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCOC[C@H]1CCC[C@]12CN(C(=O)NCc1ccccc1)CCO2
InChIInChI=1S/C18H26N2O3/c1-22-13-16-8-5-9-18(16)14-20(10-11-23-18)17(21)19-12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,19,21)/t16-,18+/m1/s1
InChIKeyNHLZOVICVAHHKT-AEFFLSMTSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 98776863) is (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is COC[C@H]1CCC[C@]12CN(C(=O)NCc1ccccc1)CCO2.
What is the InChIKey of (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is NHLZOVICVAHHKT-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-13-16-8-5-9-18(16)14-20(10-11-23-18)17(21)19-12-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,19,21)/t16-,18+/m1/s1.
What are the key properties of (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
(4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N-benzyl-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 98776863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).