2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide

C19H21F3N2O2 — CID 120667813

IUPAC2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H21F3N2O2/c1-12-3-5-15(6-4-12)17(23)18(25)24-13(2)14-7-9-16(10-8-14)26-11-19(20,21)22/h3-10,13,17H,11,23H2,1-2H3,(H,24,25)
InChIKeyRRYHOIBYWIKIHJ-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.81
Rot. Bonds6

About 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide

2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide (PubChem CID 120667813) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
PubChem CID120667813
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
SMILESCc1ccc(C(N)C(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H21F3N2O2/c1-12-3-5-15(6-4-12)17(23)18(25)24-13(2)14-7-9-16(10-8-14)26-11-19(20,21)22/h3-10,13,17H,11,23H2,1-2H3,(H,24,25)
InChIKeyRRYHOIBYWIKIHJ-UHFFFAOYSA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119748726
(2S)-2-amino-4-methylsulfanyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119303255
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120666705
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667280
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
1-[1-(4-bromophenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112808744

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide (CID 120667813) is 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide is Cc1ccc(C(N)C(=O)NC(C)c2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide?
The InChIKey is RRYHOIBYWIKIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-12-3-5-15(6-4-12)17(23)18(25)24-13(2)14-7-9-16(10-8-14)26-11-19(20,21)22/h3-10,13,17H,11,23H2,1-2H3,(H,24,25).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 120667813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).