N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide

C16H22F3N3O3 — CID 51171639

IUPACN-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3N3O3/c1-22(10-14(23)20-8-5-9-25-2)11-15(24)21-13-7-4-3-6-12(13)16(17,18)19/h3-4,6-7H,5,8-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHVOZUDGTTYPGAD-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.73
Rot. Bonds9

About N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide

N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide (PubChem CID 51171639) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
PubChem CID51171639
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC NameN-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3N3O3/c1-22(10-14(23)20-8-5-9-25-2)11-15(24)21-13-7-4-3-6-12(13)16(17,18)19/h3-4,6-7H,5,8-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHVOZUDGTTYPGAD-UHFFFAOYSA-N
XLogP1.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(3-methoxypropylcarbamoyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18552332
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
CID 9286444
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600684
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510
2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 17436271
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566193
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide (CID 51171639) is N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide is COCCCNC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
The InChIKey is HVOZUDGTTYPGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-22(10-14(23)20-8-5-9-25-2)11-15(24)21-13-7-4-3-6-12(13)16(17,18)19/h3-4,6-7H,5,8-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide has a molecular weight of 361.36 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide is sourced from PubChem (CID 51171639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).