2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C16H22F3N3O3 — CID 18552332

IUPAC2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)NCCCOC
InChIInChI=1S/C16H22F3N3O3/c1-3-22(15(24)20-9-6-10-25-2)11-14(23)21-13-8-5-4-7-12(13)16(17,18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyIIJQBVCDYIZROP-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.71
Rot. Bonds8

About 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 18552332) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID18552332
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)NCCCOC
InChIInChI=1S/C16H22F3N3O3/c1-3-22(15(24)20-9-6-10-25-2)11-14(23)21-13-8-5-4-7-12(13)16(17,18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyIIJQBVCDYIZROP-UHFFFAOYSA-N
XLogP2.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 51171639
2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
methyl 4-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]benzoate
CID 26356542
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
N-ethyl-2,4,5-trimethoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26357174
3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 8504506
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7958698

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 18552332) is 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)NCCCOC.
What is the InChIKey of 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IIJQBVCDYIZROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-3-22(15(24)20-9-6-10-25-2)11-14(23)21-13-8-5-4-7-12(13)16(17,18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 361.36 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18552332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).