2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide

C12H23F3N2O2 — CID 62474315

IUPAC2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(N)CCOC
InChIInChI=1S/C12H23F3N2O2/c1-4-9(5-2)17(8-12(13,14)15)11(18)10(16)6-7-19-3/h9-10H,4-8,16H2,1-3H3
InChIKeyUJAZIUXJFMRDQX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.93
Rot. Bonds8

About 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 62474315) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID62474315
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(N)CCOC
InChIInChI=1S/C12H23F3N2O2/c1-4-9(5-2)17(8-12(13,14)15)11(18)10(16)6-7-19-3/h9-10H,4-8,16H2,1-3H3
InChIKeyUJAZIUXJFMRDQX-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 54872172
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 93372320
2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64592028
2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 62474145
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591828
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
CID 81082232
(E)-4-oxo-4-[pentan-3-yl(2,2,2-trifluoroethyl)amino]but-2-enoic acid
CID 54875345

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 62474315) is 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide is CCC(CC)N(CC(F)(F)F)C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is UJAZIUXJFMRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-9(5-2)17(8-12(13,14)15)11(18)10(16)6-7-19-3/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 284.32 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 62474315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).