N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

C16H21F3N2O — CID 119613879

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC(CN)C1CC1
InChIInChI=1S/C16H21F3N2O/c1-10(15(22)21-14(9-20)12-4-5-12)8-11-2-6-13(7-3-11)16(17,18)19/h2-3,6-7,10,12,14H,4-5,8-9,20H2,1H3,(H,21,22)
InChIKeyMKYVKZBXYDCGFF-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.74
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 119613879) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID119613879
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC(CN)C1CC1
InChIInChI=1S/C16H21F3N2O/c1-10(15(22)21-14(9-20)12-4-5-12)8-11-2-6-13(7-3-11)16(17,18)19/h2-3,6-7,10,12,14H,4-5,8-9,20H2,1H3,(H,21,22)
InChIKeyMKYVKZBXYDCGFF-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119613878
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
N-(2-amino-1-cyclopropylethyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119615543
N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide
CID 119613985
2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 120575190
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 119613815
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 56793953
N-(2-amino-1-cyclopropylethyl)-2-methoxypropanamide
CID 115737526
N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
2-methyl-1-[4-(methylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119560684

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 119613879) is N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is CC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MKYVKZBXYDCGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-10(15(22)21-14(9-20)12-4-5-12)8-11-2-6-13(7-3-11)16(17,18)19/h2-3,6-7,10,12,14H,4-5,8-9,20H2,1H3,(H,21,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 314.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 119613879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).