2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide

C16H21F3N2O3 — CID 167810558

IUPAC2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide
SMILESCOc1ccc(COCC(=O)NC2CC(NCC(F)(F)F)C2)cc1
InChIInChI=1S/C16H21F3N2O3/c1-23-14-4-2-11(3-5-14)8-24-9-15(22)21-13-6-12(7-13)20-10-16(17,18)19/h2-5,12-13,20H,6-10H2,1H3,(H,21,22)
InChIKeyDHHZWPJREBASOU-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.01
Rot. Bonds8

About 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide

2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide (PubChem CID 167810558) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide
PubChem CID167810558
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide
SMILESCOc1ccc(COCC(=O)NC2CC(NCC(F)(F)F)C2)cc1
InChIInChI=1S/C16H21F3N2O3/c1-23-14-4-2-11(3-5-14)8-24-9-15(22)21-13-6-12(7-13)20-10-16(17,18)19/h2-5,12-13,20H,6-10H2,1H3,(H,21,22)
InChIKeyDHHZWPJREBASOU-UHFFFAOYSA-N
XLogP2.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 753654
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 2469223
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 24687902
[2-(cyclooctylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 24979650
2-(4-ethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 807462
2-(4-ethylphenoxy)-N-propan-2-ylacetamide
CID 1121363
2-(4-methylphenoxy)-N-(3-{[(4-methylphenoxy)acetyl]amino}propyl)acetamide
CID 1791346
[2-(cycloheptylamino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 6212148
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]propanamide
CID 76321495
(3E,6R,9E,11Z,15E)-6-[(4-methoxyphenyl)methoxymethyl]-4,12-dimethyl-1-oxa-7-azacyclooctadeca-3,9,11,15-tetraene-8,14-dione
CID 164624947
US20250188037, Example 57
CID 169209389

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide (CID 167810558) is 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide is COc1ccc(COCC(=O)NC2CC(NCC(F)(F)F)C2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide?
The InChIKey is DHHZWPJREBASOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-14-4-2-11(3-5-14)8-24-9-15(22)21-13-6-12(7-13)20-10-16(17,18)19/h2-5,12-13,20H,6-10H2,1H3,(H,21,22).
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide?
2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]acetamide is sourced from PubChem (CID 167810558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).