(2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

C19H26FN3O3 — CID 97406636

IUPAC(2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC[C@@]12CC[C@H](C(=O)N(C)C)O2
InChIInChI=1S/C19H26FN3O3/c1-13-12-23(18(25)21-15-6-4-5-14(20)11-15)10-9-19(13)8-7-16(26-19)17(24)22(2)3/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,21,25)/t13-,16-,19+/m1/s1
InChIKeyUGEARAUICHPPNT-NRXGSXMXSA-N
MW363.43 g/mol
LogP2.71
Rot. Bonds2

About (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

(2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (PubChem CID 97406636) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.

Molecular Properties

Compound Name(2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
PubChem CID97406636
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name(2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC[C@@]12CC[C@H](C(=O)N(C)C)O2
InChIInChI=1S/C19H26FN3O3/c1-13-12-23(18(25)21-15-6-4-5-14(20)11-15)10-9-19(13)8-7-16(26-19)17(24)22(2)3/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,21,25)/t13-,16-,19+/m1/s1
InChIKeyUGEARAUICHPPNT-NRXGSXMXSA-N
XLogP2.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The IUPAC name of (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (CID 97406636) is (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.
What is the SMILES notation for (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The canonical SMILES for (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is C[C@@H]1CN(C(=O)Nc2cccc(F)c2)CC[C@@]12CC[C@H](C(=O)N(C)C)O2.
What is the InChIKey of (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The InChIKey is UGEARAUICHPPNT-NRXGSXMXSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-13-12-23(18(25)21-15-6-4-5-14(20)11-15)10-9-19(13)8-7-16(26-19)17(24)22(2)3/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,21,25)/t13-,16-,19+/m1/s1.
What are the key properties of (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
(2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is sourced from PubChem (CID 97406636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).