2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide

C14H20F3N3O — CID 119832122

IUPAC2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C14H20F3N3O/c1-4-5-10(18)13(21)19-11-8-9(14(15,16)17)6-7-12(11)20(2)3/h6-8,10H,4-5,18H2,1-3H3,(H,19,21)
InChIKeyNTTYENCKBMFDMY-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.84
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide

2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide (PubChem CID 119832122) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
PubChem CID119832122
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C14H20F3N3O/c1-4-5-10(18)13(21)19-11-8-9(14(15,16)17)6-7-12(11)20(2)3/h6-8,10H,4-5,18H2,1-3H3,(H,19,21)
InChIKeyNTTYENCKBMFDMY-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
2-[[(2S)-2-aminopentanoyl]amino]-4-(trifluoromethyl)benzoic acid
CID 103871095
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336804
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
(2S)-2-amino-N-[5-bromo-2-(dimethylamino)phenyl]butanamide
CID 79024173
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
4-[[2-(dimethylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074518
N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 110481380

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide (CID 119832122) is 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is NTTYENCKBMFDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-4-5-10(18)13(21)19-11-8-9(14(15,16)17)6-7-12(11)20(2)3/h6-8,10H,4-5,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide?
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 303.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 119832122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).