N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide

C19H24F3N3O5 — CID 171318256

IUPACN-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC2(C1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CCO2
InChIInChI=1S/C19H24F3N3O5/c1-13(2)23-17(27)25-8-10-29-18(12-25)11-24(7-9-28-18)16(26)14-3-5-15(6-4-14)30-19(20,21)22/h3-6,13H,7-12H2,1-2H3,(H,23,27)
InChIKeyUPXISDOJBTVOTI-UHFFFAOYSA-N
MW431.41 g/mol
LogP2.20
Rot. Bonds3

About N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide

N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 171318256) has the molecular formula C19H24F3N3O5 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID171318256
Molecular FormulaC19H24F3N3O5
Molecular Weight431.41 g/mol
Exact Mass431.17
IUPAC NameN-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC2(C1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CCO2
InChIInChI=1S/C19H24F3N3O5/c1-13(2)23-17(27)25-8-10-29-18(12-25)11-24(7-9-28-18)16(26)14-3-5-15(6-4-14)30-19(20,21)22/h3-6,13H,7-12H2,1-2H3,(H,23,27)
InChIKeyUPXISDOJBTVOTI-UHFFFAOYSA-N
XLogP2.20
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[10-[(1-methylpyrazol-3-yl)methyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecan-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 171318435
4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884683
4-N-(3-methoxyphenyl)-8-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884750
(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
(3R)-3-methyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124692692
N-butan-2-yl-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 134043731
(5S)-2-ethyl-10-(4-methoxybenzoyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97439069
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
4-(2-methoxyacetyl)-N-propan-2-yl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884525
N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
CID 110106977
(3-amino-3-ethylazetidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629412
6,10-dioxa-2-azaspiro[4.5]decan-2-yl-[4-(propan-2-ylamino)phenyl]methanone
CID 166384316

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide (CID 171318256) is N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide is CC(C)NC(=O)N1CCOC2(C1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CCO2.
What is the InChIKey of N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is UPXISDOJBTVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O5/c1-13(2)23-17(27)25-8-10-29-18(12-25)11-24(7-9-28-18)16(26)14-3-5-15(6-4-14)30-19(20,21)22/h3-6,13H,7-12H2,1-2H3,(H,23,27).
What are the key properties of N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide?
N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-10-[4-(trifluoromethoxy)benzoyl]-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 171318256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).