N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide

C22H29F3N2O2 — CID 90290966

IUPACN-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
SMILESO=C(NC1COCC[C@@H]1NC1CCCCC1)c1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C22H29F3N2O2/c23-22(24,25)15-8-9-17(18(12-15)14-6-7-14)21(28)27-20-13-29-11-10-19(20)26-16-4-2-1-3-5-16/h8-9,12,14,16,19-20,26H,1-7,10-11,13H2,(H,27,28)/t19-,20?/m0/s1
InChIKeyFOKCTZHJZFZIBY-XJDOXCRVSA-N
MW410.48 g/mol
LogP4.39
Rot. Bonds5

About N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide

N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide (PubChem CID 90290966) has the molecular formula C22H29F3N2O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
PubChem CID90290966
Molecular FormulaC22H29F3N2O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
SMILESO=C(NC1COCC[C@@H]1NC1CCCCC1)c1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C22H29F3N2O2/c23-22(24,25)15-8-9-17(18(12-15)14-6-7-14)21(28)27-20-13-29-11-10-19(20)26-16-4-2-1-3-5-16/h8-9,12,14,16,19-20,26H,1-7,10-11,13H2,(H,27,28)/t19-,20?/m0/s1
InChIKeyFOKCTZHJZFZIBY-XJDOXCRVSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 51000996
N-[(3S)-4-[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 90290977
2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide
CID 77445013
bis(2-cyclopropyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide);2-methyl-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 87377616
2-cyclopropyl-N-[(6S)-6-(oxan-4-ylamino)-1λ3,3-iodoxan-1-yl]-4-(trifluoromethyl)benzamide
CID 162560698
2-methylsulfanyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide
CID 154462356
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
2-cyclopropyl-N-[(3S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 90290997
2-cyclopropyl-6-methoxy-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 53339900
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
CID 67358949
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
CID 11670194
4-amino-N-cyclobutyl-2-cyclopropylbenzamide
CID 170995543

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide (CID 90290966) is N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide is O=C(NC1COCC[C@@H]1NC1CCCCC1)c1ccc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide?
The InChIKey is FOKCTZHJZFZIBY-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H29F3N2O2/c23-22(24,25)15-8-9-17(18(12-15)14-6-7-14)21(28)27-20-13-29-11-10-19(20)26-16-4-2-1-3-5-16/h8-9,12,14,16,19-20,26H,1-7,10-11,13H2,(H,27,28)/t19-,20?/m0/s1.
What are the key properties of N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide?
N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide has a molecular weight of 410.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90290966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).