2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide

C16H23F3N2O2 — CID 119315081

IUPAC2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-4-5-14(20)15(22)21-9-11-6-7-12(23-10(2)3)8-13(11)16(17,18)19/h6-8,10,14H,4-5,9,20H2,1-3H3,(H,21,22)
InChIKeyRZCLYJOYLHBYJP-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.24
Rot. Bonds7

About 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide

2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide (PubChem CID 119315081) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide
PubChem CID119315081
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-4-5-14(20)15(22)21-9-11-6-7-12(23-10(2)3)8-13(11)16(17,18)19/h6-8,10,14H,4-5,9,20H2,1-3H3,(H,21,22)
InChIKeyRZCLYJOYLHBYJP-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide
CID 119315071
2-amino-3-methoxy-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 120988650
(2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119315068
3-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119768894
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315076
2-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119305736
1,2-dimethyl-3-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 75493865
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258868
N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315072
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030929

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide (CID 119315081) is 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide is CCCC(N)C(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide?
The InChIKey is RZCLYJOYLHBYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-4-5-14(20)15(22)21-9-11-6-7-12(23-10(2)3)8-13(11)16(17,18)19/h6-8,10,14H,4-5,9,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide?
2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide has a molecular weight of 332.37 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 119315081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).