N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide

C21H23F3N2O2 — CID 3788045

IUPACN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(C)c(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)cc1C(C)C
InChIInChI=1S/C21H23F3N2O2/c1-13(2)18-11-16(14(3)8-19(18)28-4)12-25-26-20(27)10-15-6-5-7-17(9-15)21(22,23)24/h5-9,11-13H,10H2,1-4H3,(H,26,27)
InChIKeyNTVCOFRPQPFUKV-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.84
Rot. Bonds6

About N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3788045) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3788045
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(C)c(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)cc1C(C)C
InChIInChI=1S/C21H23F3N2O2/c1-13(2)18-11-16(14(3)8-19(18)28-4)12-25-26-20(27)10-15-6-5-7-17(9-15)21(22,23)24/h5-9,11-13H,10H2,1-4H3,(H,26,27)
InChIKeyNTVCOFRPQPFUKV-UHFFFAOYSA-N
XLogP4.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 136644816
N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 50865918
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 21229354
N-(2-fluorophenyl)-N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4019456
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 50865170
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3499403
N-[(E)-[2,3-dibromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 126002964
N-(4-ethoxyphenyl)-N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4576013
(2S)-N-[(E)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-phenoxypropanamide
CID 39365729
(2S)-N-[(Z)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-phenoxypropanamide
CID 31087323
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 6269141
N'-[(3-methoxy-4-methylphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3886822

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 3788045) is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is COc1cc(C)c(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)cc1C(C)C.
What is the InChIKey of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NTVCOFRPQPFUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13(2)18-11-16(14(3)8-19(18)28-4)12-25-26-20(27)10-15-6-5-7-17(9-15)21(22,23)24/h5-9,11-13H,10H2,1-4H3,(H,26,27).
What are the key properties of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 392.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3788045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).