N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide

C24H32F6N2O2 — CID 10028696

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(NC2(C)CCOCC2)C1
InChIInChI=1S/C24H32F6N2O2/c1-15(2)22(5-4-19(13-22)32-21(3)6-8-34-9-7-21)20(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19,32H,4-9,13-14H2,1-3H3,(H,31,33)
InChIKeyLHUHZSXXMFUPIN-UHFFFAOYSA-N
MW494.52 g/mol
LogP5.69
Rot. Bonds6

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 10028696) has the molecular formula C24H32F6N2O2 and a molecular weight of 494.52 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID10028696
Molecular FormulaC24H32F6N2O2
Molecular Weight494.52 g/mol
Exact Mass494.24
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(NC2(C)CCOCC2)C1
InChIInChI=1S/C24H32F6N2O2/c1-15(2)22(5-4-19(13-22)32-21(3)6-8-34-9-7-21)20(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19,32H,4-9,13-14H2,1-3H3,(H,31,33)
InChIKeyLHUHZSXXMFUPIN-UHFFFAOYSA-N
XLogP5.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide (CID 10028696) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide is CC(C)C1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(NC2(C)CCOCC2)C1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is LHUHZSXXMFUPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F6N2O2/c1-15(2)22(5-4-19(13-22)32-21(3)6-8-34-9-7-21)20(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19,32H,4-9,13-14H2,1-3H3,(H,31,33).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(4-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 10028696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).