N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide

C14H17F3N2O2 — CID 51076389

IUPACN-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-19(9-13(20)18-11-4-5-11)8-10-2-6-12(7-3-10)21-14(15,16)17/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,18,20)
InChIKeyKNMOBBWYFIYSLK-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.30
Rot. Bonds6

About N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide

N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide (PubChem CID 51076389) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
PubChem CID51076389
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-19(9-13(20)18-11-4-5-11)8-10-2-6-12(7-3-10)21-14(15,16)17/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,18,20)
InChIKeyKNMOBBWYFIYSLK-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387
N-cyclopropyl-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909955
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
CID 111488549
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
N-cyclopropyl-2-[methyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]amino]acetamide
CID 75461461
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 55571800

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide (CID 51076389) is N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide is CN(CC(=O)NC1CC1)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The InChIKey is KNMOBBWYFIYSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-19(9-13(20)18-11-4-5-11)8-10-2-6-12(7-3-10)21-14(15,16)17/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 51076389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).