2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide

C20H24FNO4 — CID 90599157

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(OC)c2ccccc2F)cc1OC
InChIInChI=1S/C20H24FNO4/c1-20(26-4,15-7-5-6-8-16(15)21)13-22-19(23)12-14-9-10-17(24-2)18(11-14)25-3/h5-11H,12-13H2,1-4H3,(H,22,23)
InChIKeyDEQREZPJLMMMBE-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.06
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide (PubChem CID 90599157) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
PubChem CID90599157
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
SMILESCOc1ccc(CC(=O)NCC(C)(OC)c2ccccc2F)cc1OC
InChIInChI=1S/C20H24FNO4/c1-20(26-4,15-7-5-6-8-16(15)21)13-22-19(23)12-14-9-10-17(24-2)18(11-14)25-3/h5-11H,12-13H2,1-4H3,(H,22,23)
InChIKeyDEQREZPJLMMMBE-UHFFFAOYSA-N
XLogP3.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97428375
N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106140185
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97428425
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428333
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
2-(3,4-dimethoxyphenyl)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376510
(E)-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90599191
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide (CID 90599157) is 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide is COc1ccc(CC(=O)NCC(C)(OC)c2ccccc2F)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The InChIKey is DEQREZPJLMMMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-20(26-4,15-7-5-6-8-16(15)21)13-22-19(23)12-14-9-10-17(24-2)18(11-14)25-3/h5-11H,12-13H2,1-4H3,(H,22,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide is sourced from PubChem (CID 90599157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).