2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide

C15H20F3N3O3 — CID 60590827

IUPAC2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC(C)C(=O)Nc1cccc(NC(C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H20F3N3O3/c1-9(13(22)19-8-15(16,17)18)20-11-5-4-6-12(7-11)21-14(23)10(2)24-3/h4-7,9-10,20H,8H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyGOHYHPBIAAQNIT-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.14
Rot. Bonds7

About 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide

2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60590827) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60590827
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC(C)C(=O)Nc1cccc(NC(C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C15H20F3N3O3/c1-9(13(22)19-8-15(16,17)18)20-11-5-4-6-12(7-11)21-14(23)10(2)24-3/h4-7,9-10,20H,8H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyGOHYHPBIAAQNIT-UHFFFAOYSA-N
XLogP2.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
2-methoxy-N-[3-[1-(1-methylcyclopropyl)ethylamino]phenyl]propanamide
CID 75516778
2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 41397253
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
(2S)-2-methoxy-N-[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]propanamide
CID 129369597
3-amino-2-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]butanamide
CID 120501532
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide (CID 60590827) is 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide is COC(C)C(=O)Nc1cccc(NC(C)C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GOHYHPBIAAQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-9(13(22)19-8-15(16,17)18)20-11-5-4-6-12(7-11)21-14(23)10(2)24-3/h4-7,9-10,20H,8H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 347.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxypropanoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60590827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).