N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C16H22F3NO4 — CID 51100665

IUPACN-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCN(CCC(F)(F)F)C(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H22F3NO4/c1-5-20(7-6-16(17,18)19)14(21)10-11-8-12(22-2)15(24-4)13(9-11)23-3/h8-9H,5-7,10H2,1-4H3
InChIKeyNHGDBNIWLKUOSE-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.06
Rot. Bonds8

About N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 51100665) has the molecular formula C16H22F3NO4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID51100665
Molecular FormulaC16H22F3NO4
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC NameN-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCN(CCC(F)(F)F)C(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H22F3NO4/c1-5-20(7-6-16(17,18)19)14(21)10-11-8-12(22-2)15(24-4)13(9-11)23-3/h8-9H,5-7,10H2,1-4H3
InChIKeyNHGDBNIWLKUOSE-UHFFFAOYSA-N
XLogP3.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
N-ethoxy-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168994
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858686
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 61008101
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 120886021
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
2-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
CID 82111127
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
CID 30471741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 51100665) is N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide is CCN(CCC(F)(F)F)C(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is NHGDBNIWLKUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO4/c1-5-20(7-6-16(17,18)19)14(21)10-11-8-12(22-2)15(24-4)13(9-11)23-3/h8-9H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 349.35 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 51100665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).