N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C22H23F3N2O4 — CID 86887405

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C22H23F3N2O4/c23-22(24,25)16-7-9-20(28)26(12-16)13-21(29)27(17-4-2-1-3-5-17)11-15-6-8-18-19(10-15)31-14-30-18/h6-10,12,17H,1-5,11,13-14H2
InChIKeyJPAOYQPVFQRAMF-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.96
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 86887405) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID86887405
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C22H23F3N2O4/c23-22(24,25)16-7-9-20(28)26(12-16)13-21(29)27(17-4-2-1-3-5-17)11-15-6-8-18-19(10-15)31-14-30-18/h6-10,12,17H,1-5,11,13-14H2
InChIKeyJPAOYQPVFQRAMF-UHFFFAOYSA-N
XLogP3.96
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 84602640
1-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 139519094
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 18190229
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7633574
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide
CID 119938723
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 4857550
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride
CID 119773859
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 86887405) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is JPAOYQPVFQRAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c23-22(24,25)16-7-9-20(28)26(12-16)13-21(29)27(17-4-2-1-3-5-17)11-15-6-8-18-19(10-15)31-14-30-18/h6-10,12,17H,1-5,11,13-14H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 436.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 86887405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).