N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide

C23H34F3N3O2 — CID 129134832

IUPACN-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide
SMILESCC(C)(C)NC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)C12CC3(F)CC(F)(C1)C(F)(C3)C2
InChIInChI=1S/C23H34F3N3O2/c1-18(2,3)28-16(30)9-29-6-4-19(5-7-29)8-15(19)27-17(31)20-10-21(24)13-22(25,11-20)23(26,12-20)14-21/h15H,4-14H2,1-3H3,(H,27,31)(H,28,30)/t15-,20?,21?,22?,23?/m1/s1
InChIKeyUCARMWDXMIWWSC-PFZBGMBSSA-N
MW441.54 g/mol
LogP2.97
Rot. Bonds4

About N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide

N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide (PubChem CID 129134832) has the molecular formula C23H34F3N3O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide
PubChem CID129134832
Molecular FormulaC23H34F3N3O2
Molecular Weight441.54 g/mol
Exact Mass441.26
IUPAC NameN-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide
SMILESCC(C)(C)NC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)C12CC3(F)CC(F)(C1)C(F)(C3)C2
InChIInChI=1S/C23H34F3N3O2/c1-18(2,3)28-16(30)9-29-6-4-19(5-7-29)8-15(19)27-17(31)20-10-21(24)13-22(25,11-20)23(26,12-20)14-21/h15H,4-14H2,1-3H3,(H,27,31)(H,28,30)/t15-,20?,21?,22?,23?/m1/s1
InChIKeyUCARMWDXMIWWSC-PFZBGMBSSA-N
XLogP2.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide?
The IUPAC name of N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide (CID 129134832) is N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide.
What is the SMILES notation for N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide?
The canonical SMILES for N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide is CC(C)(C)NC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)C12CC3(F)CC(F)(C1)C(F)(C3)C2.
What is the InChIKey of N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide?
The InChIKey is UCARMWDXMIWWSC-PFZBGMBSSA-N. The full InChI is InChI=1S/C23H34F3N3O2/c1-18(2,3)28-16(30)9-29-6-4-19(5-7-29)8-15(19)27-17(31)20-10-21(24)13-22(25,11-20)23(26,12-20)14-21/h15H,4-14H2,1-3H3,(H,27,31)(H,28,30)/t15-,20?,21?,22?,23?/m1/s1.
What are the key properties of N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide?
N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3,5,7-trifluorotricyclo[3.3.1.03,7]nonane-1-carboxamide is sourced from PubChem (CID 129134832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).