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

C19H20F3NO2 — CID 112791754

IUPACN-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1cccc(OC(C)C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO2/c1-13-5-4-6-17(11-13)25-14(2)18(24)23(3)12-15-7-9-16(10-8-15)19(20,21)22/h4-11,14H,12H2,1-3H3
InChIKeyAPGYMBSNXBOIDC-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.44
Rot. Bonds5

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

N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 112791754) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID112791754
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1cccc(OC(C)C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO2/c1-13-5-4-6-17(11-13)25-14(2)18(24)23(3)12-15-7-9-16(10-8-15)19(20,21)22/h4-11,14H,12H2,1-3H3
InChIKeyAPGYMBSNXBOIDC-UHFFFAOYSA-N
XLogP4.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61030275
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 18104430
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 8917521
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 112791754) is N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is Cc1cccc(OC(C)C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is APGYMBSNXBOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-13-5-4-6-17(11-13)25-14(2)18(24)23(3)12-15-7-9-16(10-8-15)19(20,21)22/h4-11,14H,12H2,1-3H3.
What are the key properties of N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 351.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 112791754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).