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

C14H19F3N2O2 — CID 61258507

IUPAC2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-3-9(2)12(18)13(20)19-8-10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,3,8,18H2,1-2H3,(H,19,20)
InChIKeyMMNMJPUOIBDAAL-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.57
Rot. Bonds6

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

2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide (PubChem CID 61258507) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
PubChem CID61258507
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-3-9(2)12(18)13(20)19-8-10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,3,8,18H2,1-2H3,(H,19,20)
InChIKeyMMNMJPUOIBDAAL-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119747912
2-(4-fluorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 46420429
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide (CID 61258507) is 2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide is CCC(C)C(N)C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The InChIKey is MMNMJPUOIBDAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-9(2)12(18)13(20)19-8-10-4-6-11(7-5-10)21-14(15,16)17/h4-7,9,12H,3,8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide has a molecular weight of 304.31 g/mol, XLogP of 2.57, 6 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-(trifluoromethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 61258507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).