2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C15H19F3N2O2 — CID 119712587

IUPAC2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESO=C(CNCC1CC1)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-22-13-3-1-2-12(6-13)8-20-14(21)9-19-7-11-4-5-11/h1-3,6,11,19H,4-5,7-10H2,(H,20,21)
InChIKeyGQADGSUVJYEJGF-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.24
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 119712587) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID119712587
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESO=C(CNCC1CC1)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)10-22-13-3-1-2-12(6-13)8-20-14(21)9-19-7-11-4-5-11/h1-3,6,11,19H,4-5,7-10H2,(H,20,21)
InChIKeyGQADGSUVJYEJGF-UHFFFAOYSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907704
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoic acid
CID 61160544
2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427
N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119283411
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 87019705

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 119712587) is 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is O=C(CNCC1CC1)NCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is GQADGSUVJYEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)10-22-13-3-1-2-12(6-13)8-20-14(21)9-19-7-11-4-5-11/h1-3,6,11,19H,4-5,7-10H2,(H,20,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 119712587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).