N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C21H29F3N2O3 — CID 39429392

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C21H29F3N2O3/c22-21(23,24)16-29-14-17-4-6-18(7-5-17)19(27)25-15-20(8-2-1-3-9-20)26-10-12-28-13-11-26/h4-7H,1-3,8-16H2,(H,25,27)
InChIKeyUTEYNTVVYAWRPH-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.53
Rot. Bonds7

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 39429392) has the molecular formula C21H29F3N2O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID39429392
Molecular FormulaC21H29F3N2O3
Molecular Weight414.47 g/mol
Exact Mass414.21
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C21H29F3N2O3/c22-21(23,24)16-29-14-17-4-6-18(7-5-17)19(27)25-15-20(8-2-1-3-9-20)26-10-12-28-13-11-26/h4-7H,1-3,8-16H2,(H,25,27)
InChIKeyUTEYNTVVYAWRPH-UHFFFAOYSA-N
XLogP3.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 39175762
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18148355
4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 8502045
5-(methoxymethyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 78827478
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 94561634

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 39429392) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is UTEYNTVVYAWRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N2O3/c22-21(23,24)16-29-14-17-4-6-18(7-5-17)19(27)25-15-20(8-2-1-3-9-20)26-10-12-28-13-11-26/h4-7H,1-3,8-16H2,(H,25,27).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 39429392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).