N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide

C15H21F3N2O — CID 115750835

IUPACN-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-14(2,3)20-12(21)9-10-19-13(15(16,17)18)11-7-5-4-6-8-11/h4-8,13,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyRTFQUFYUYHTZNM-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.18
Rot. Bonds5

About N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide

N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide (PubChem CID 115750835) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
PubChem CID115750835
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-14(2,3)20-12(21)9-10-19-13(15(16,17)18)11-7-5-4-6-8-11/h4-8,13,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyRTFQUFYUYHTZNM-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115605278
N-tert-butyl-3-(1-phenylbutylamino)propanamide
CID 115605323
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
3-[1-(3-bromophenyl)ethylamino]-N-tert-butylpropanamide
CID 115605352
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
CID 112688495
methyl 5-[[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]amino]pentanoate
CID 56794608
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861047
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide (CID 115750835) is N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide is CC(C)(C)NC(=O)CCNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide?
The InChIKey is RTFQUFYUYHTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-14(2,3)20-12(21)9-10-19-13(15(16,17)18)11-7-5-4-6-8-11/h4-8,13,19H,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide?
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide is sourced from PubChem (CID 115750835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).