(3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide

C15H19F3N2O4 — CID 25139382

IUPAC(3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCOc1ccc(C[C@H](CC(=O)N(C)OC)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O4/c1-20(24-3)13(21)9-11(19-14(22)15(16,17)18)8-10-4-6-12(23-2)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,19,22)/t11-/m1/s1
InChIKeyXQKIUMLSQOWSBC-LLVKDONJSA-N
MW348.32 g/mol
LogP1.69
Rot. Bonds7

About (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide

(3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 25139382) has the molecular formula C15H19F3N2O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name(3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID25139382
Molecular FormulaC15H19F3N2O4
Molecular Weight348.32 g/mol
Exact Mass348.13
IUPAC Name(3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCOc1ccc(C[C@H](CC(=O)N(C)OC)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O4/c1-20(24-3)13(21)9-11(19-14(22)15(16,17)18)8-10-4-6-12(23-2)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,19,22)/t11-/m1/s1
InChIKeyXQKIUMLSQOWSBC-LLVKDONJSA-N
XLogP1.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
CID 15034414
methyl (4S)-5-(4-methoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 25138757
tert-butyl N-[(2R)-1-(4-bromophenyl)-4-[methoxy(methyl)amino]-4-oxobutan-2-yl]carbamate
CID 118261852
(3S)-4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14410547
4-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 167728511
tert-butyl N-[1-[methoxy(methyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 21475832
(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 102062038
methyl (3S)-4-[4-(4-methoxyphenyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 101408029
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
methyl (3S)-3-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)butanoate
CID 167813974
9H-fluoren-9-ylmethyl N-[(2S)-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamate
CID 11091521
N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 71195446

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 25139382) is (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide is COc1ccc(C[C@H](CC(=O)N(C)OC)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is XQKIUMLSQOWSBC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F3N2O4/c1-20(24-3)13(21)9-11(19-14(22)15(16,17)18)8-10-4-6-12(23-2)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,19,22)/t11-/m1/s1.
What are the key properties of (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide?
(3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 348.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methoxy-4-(4-methoxyphenyl)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 25139382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).