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

C15H17F6N3O3 — CID 118661025

IUPAC(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]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/C15H17F6N3O3/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/h2-4,11H,5-7,22H2,1H3,(H,23,25)(H,24,26)/t11-/m1/s1
InChIKeyZBENITMVVCUZLV-LLVKDONJSA-N
MW401.31 g/mol
LogP1.43
Rot. Bonds7

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

(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide (PubChem CID 118661025) has the molecular formula C15H17F6N3O3 and a molecular weight of 401.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide
PubChem CID118661025
Molecular FormulaC15H17F6N3O3
Molecular Weight401.31 g/mol
Exact Mass401.12
IUPAC Name(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]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/C15H17F6N3O3/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/h2-4,11H,5-7,22H2,1H3,(H,23,25)(H,24,26)/t11-/m1/s1
InChIKeyZBENITMVVCUZLV-LLVKDONJSA-N
XLogP1.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-[3,5-bis(trifluoromethyl)phenyl]-2-oxobutyl]-3-methoxypropanamide
CID 157459336
(2S)-2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methylpentanamide
CID 71731531
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 166182708
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-amino-3-methoxy-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120993277
N'-[[3,5-bis(trifluoromethyl)phenyl]methyl]butanediamide
CID 143135379
2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120988226
methyl 3-[[(2-amino-3-methoxypropanoyl)amino]methyl]benzoate;hydrochloride
CID 120992458
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide (CID 118661025) is (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]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)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide?
The InChIKey is ZBENITMVVCUZLV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17F6N3O3/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/h2-4,11H,5-7,22H2,1H3,(H,23,25)(H,24,26)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide?
(2R)-2-amino-N-[2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide has a molecular weight of 401.31 g/mol, XLogP of 1.43, 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)phenyl]methylamino]-2-oxoethyl]-3-methoxypropanamide is sourced from PubChem (CID 118661025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).