(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide

C15H23F6N3O3 — CID 90383827

IUPAC(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide
SMILESCOC[C@@H](N)C(=O)NCC(=O)NCC1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C15H23F6N3O3/c1-27-7-11(22)13(26)24-6-12(25)23-5-8-2-9(14(16,17)18)4-10(3-8)15(19,20)21/h8-11H,2-7,22H2,1H3,(H,23,25)(H,24,26)/t8?,9?,10?,11-/m1/s1
InChIKeyORZLDTHCVIRMGH-AHELAYONSA-N
MW407.36 g/mol
LogP1.35
Rot. Bonds7

About (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide

(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide (PubChem CID 90383827) has the molecular formula C15H23F6N3O3 and a molecular weight of 407.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide
PubChem CID90383827
Molecular FormulaC15H23F6N3O3
Molecular Weight407.36 g/mol
Exact Mass407.16
IUPAC Name(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide
SMILESCOC[C@@H](N)C(=O)NCC(=O)NCC1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C15H23F6N3O3/c1-27-7-11(22)13(26)24-6-12(25)23-5-8-2-9(14(16,17)18)4-10(3-8)15(19,20)21/h8-11H,2-7,22H2,1H3,(H,23,25)(H,24,26)/t8?,9?,10?,11-/m1/s1
InChIKeyORZLDTHCVIRMGH-AHELAYONSA-N
XLogP1.35
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide (CID 90383827) is (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide is COC[C@@H](N)C(=O)NCC(=O)NCC1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide?
The InChIKey is ORZLDTHCVIRMGH-AHELAYONSA-N. The full InChI is InChI=1S/C15H23F6N3O3/c1-27-7-11(22)13(26)24-6-12(25)23-5-8-2-9(14(16,17)18)4-10(3-8)15(19,20)21/h8-11H,2-7,22H2,1H3,(H,23,25)(H,24,26)/t8?,9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide?
(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide has a molecular weight of 407.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)cyclohexyl]methylamino]-2-oxoethyl]-3-methoxypropanamide is sourced from PubChem (CID 90383827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).