2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide

C16H23F3N2O2 — CID 119811196

IUPAC2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(C)cc1OCC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-4-11(3)14(20)15(22)21-8-12-6-5-10(2)7-13(12)23-9-16(17,18)19/h5-7,11,14H,4,8-9,20H2,1-3H3,(H,21,22)
InChIKeyNJBVIKBNLCKNSC-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.93
Rot. Bonds7

About 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide

2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide (PubChem CID 119811196) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
PubChem CID119811196
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(C)cc1OCC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-4-11(3)14(20)15(22)21-8-12-6-5-10(2)7-13(12)23-9-16(17,18)19/h5-7,11,14H,4,8-9,20H2,1-3H3,(H,21,22)
InChIKeyNJBVIKBNLCKNSC-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119339310
3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 120501924
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429
2-amino-4-methylsulfonyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119957684
1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119811160
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
3-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811167
N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119811192
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
(2S)-2-amino-3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 119744415
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide (CID 119811196) is 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide is CCC(C)C(N)C(=O)NCc1ccc(C)cc1OCC(F)(F)F.
What is the InChIKey of 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
The InChIKey is NJBVIKBNLCKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-4-11(3)14(20)15(22)21-8-12-6-5-10(2)7-13(12)23-9-16(17,18)19/h5-7,11,14H,4,8-9,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide?
2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide has a molecular weight of 332.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 119811196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).