N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C20H22F3N3O3 — CID 91474571

IUPACN-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=CC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ON1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)15-5-3-14(4-6-15)18(28)26-9-7-19(8-10-26)11-16(25-29-19)17(27)24-12-13-1-2-13/h3-6,11,13,25H,1-2,7-10,12H2,(H,24,27)
InChIKeyWKRVEXUIVUVOAH-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.63
Rot. Bonds4

About N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91474571) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91474571
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=CC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ON1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)15-5-3-14(4-6-15)18(28)26-9-7-19(8-10-26)11-16(25-29-19)17(27)24-12-13-1-2-13/h3-6,11,13,25H,1-2,7-10,12H2,(H,24,27)
InChIKeyWKRVEXUIVUVOAH-UHFFFAOYSA-N
XLogP2.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-cyclopropyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024341
N-{[(3S4R)-3-(Dimethylamino)-1-[4-(trifluoromethyl)benzoyl]piperidin-4-YL]methyl}acetamide
CID 91920886
N-[7-(hydroxyamino)-7-oxoheptyl]-4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzamide
CID 177377681
N-(cyclopropylmethyl)-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide
CID 1486036
1-(cyclopropanecarbonyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 38455827
2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024339
2-cyclopentyl-N-cyclopropyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024346
3-Methyl-N-{[(2-methylpropyl)carbamoyl]({1-[4-(trifluoromethyl)benzoyl]piperidin-4-YL})methyl}butanamide
CID 46032253
2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46153005
N1-cyclopropyl-N2-((1-(2-fluorobenzoyl)piperidin-4-yl)methyl)oxalamide
CID 49683995
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210061
(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210098

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91474571) is N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCC1CC1)C1=CC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ON1.
What is the InChIKey of N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is WKRVEXUIVUVOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)15-5-3-14(4-6-15)18(28)26-9-7-19(8-10-26)11-16(25-29-19)17(27)24-12-13-1-2-13/h3-6,11,13,25H,1-2,7-10,12H2,(H,24,27).
What are the key properties of N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-[4-(trifluoromethyl)benzoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91474571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).