N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C15H21F3N2O — CID 61259107

IUPACN-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11(2)19-9-8-14(21)20(3)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,11,19H,8-10H2,1-3H3
InChIKeyZLVPHSMUIWDSLN-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.05
Rot. Bonds6

About N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 61259107) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID61259107
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11(2)19-9-8-14(21)20(3)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,11,19H,8-10H2,1-3H3
InChIKeyZLVPHSMUIWDSLN-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide
CID 112791738
N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54873535
2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 24503498
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 61259107) is N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C)NCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is ZLVPHSMUIWDSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(2)19-9-8-14(21)20(3)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,11,19H,8-10H2,1-3H3.
What are the key properties of N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 61259107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).