N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C15H20F3NO3 — CID 87043030

IUPACN-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCCOc1ccc(NC(=O)COCC(F)(F)F)c(C)c1
InChIInChI=1S/C15H20F3NO3/c1-3-4-7-22-12-5-6-13(11(2)8-12)19-14(20)9-21-10-15(16,17)18/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeySOKKXKIBQLJONH-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.69
Rot. Bonds8

About N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 87043030) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID87043030
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC NameN-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCCOc1ccc(NC(=O)COCC(F)(F)F)c(C)c1
InChIInChI=1S/C15H20F3NO3/c1-3-4-7-22-12-5-6-13(11(2)8-12)19-14(20)9-21-10-15(16,17)18/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeySOKKXKIBQLJONH-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
4-(4-butoxy-2-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 119133688
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208716
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86847323
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 87043030) is N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCCCOc1ccc(NC(=O)COCC(F)(F)F)c(C)c1.
What is the InChIKey of N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SOKKXKIBQLJONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-3-4-7-22-12-5-6-13(11(2)8-12)19-14(20)9-21-10-15(16,17)18/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 319.32 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 87043030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).