2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

C14H18F3NO3 — CID 86928887

IUPAC2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESCc1cccc(OCC(=O)NCCCOCC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-11-4-2-5-12(8-11)21-9-13(19)18-6-3-7-20-10-14(15,16)17/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyPMEGQLRGFJKULP-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.46
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (PubChem CID 86928887) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
PubChem CID86928887
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESCc1cccc(OCC(=O)NCCCOCC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-11-4-2-5-12(8-11)21-9-13(19)18-6-3-7-20-10-14(15,16)17/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyPMEGQLRGFJKULP-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.46
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

2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
2-[(3-methylphenyl)methylsulfanyl]-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86929058
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 110667280
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (CID 86928887) is 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is Cc1cccc(OCC(=O)NCCCOCC(F)(F)F)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The InChIKey is PMEGQLRGFJKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-11-4-2-5-12(8-11)21-9-13(19)18-6-3-7-20-10-14(15,16)17/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is sourced from PubChem (CID 86928887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).