(3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C23H31F3N2O3 — CID 93019131

IUPAC(3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H31F3N2O3/c1-3-14-27(15-4-2)21(30)19-16-31-22(12-6-5-7-13-22)28(19)20(29)17-8-10-18(11-9-17)23(24,25)26/h8-11,19H,3-7,12-16H2,1-2H3/t19-/m1/s1
InChIKeyHJNUSGJOZYTHFO-LJQANCHMSA-N
MW440.51 g/mol
LogP4.86
Rot. Bonds6

About (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

(3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 93019131) has the molecular formula C23H31F3N2O3 and a molecular weight of 440.51 g/mol. Its IUPAC name is (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID93019131
Molecular FormulaC23H31F3N2O3
Molecular Weight440.51 g/mol
Exact Mass440.23
IUPAC Name(3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H31F3N2O3/c1-3-14-27(15-4-2)21(30)19-16-31-22(12-6-5-7-13-22)28(19)20(29)17-8-10-18(11-9-17)23(24,25)26/h8-11,19H,3-7,12-16H2,1-2H3/t19-/m1/s1
InChIKeyHJNUSGJOZYTHFO-LJQANCHMSA-N
XLogP4.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 93019131) is (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCCN(CCC)C(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is HJNUSGJOZYTHFO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31F3N2O3/c1-3-14-27(15-4-2)21(30)19-16-31-22(12-6-5-7-13-22)28(19)20(29)17-8-10-18(11-9-17)23(24,25)26/h8-11,19H,3-7,12-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
(3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dipropyl-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93019131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).