(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide

C16H20F3N3O3 — CID 41397253

IUPAC(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)ccc1N1CCCC1=O
InChIInChI=1S/C16H20F3N3O3/c1-10(15(24)20-9-16(17,18)19)21-11-5-6-12(13(8-11)25-2)22-7-3-4-14(22)23/h5-6,8,10,21H,3-4,7,9H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeyVCNDQKHOONWJKL-JTQLQIEISA-N
MW359.35 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 41397253) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID41397253
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)ccc1N1CCCC1=O
InChIInChI=1S/C16H20F3N3O3/c1-10(15(24)20-9-16(17,18)19)21-11-5-6-12(13(8-11)25-2)22-7-3-4-14(22)23/h5-6,8,10,21H,3-4,7,9H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeyVCNDQKHOONWJKL-JTQLQIEISA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
CID 41397283
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 41397393
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
CID 42935065
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 41397353
N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493763
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide (CID 41397253) is (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide is COc1cc(N[C@@H](C)C(=O)NCC(F)(F)F)ccc1N1CCCC1=O.
What is the InChIKey of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VCNDQKHOONWJKL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-10(15(24)20-9-16(17,18)19)21-11-5-6-12(13(8-11)25-2)22-7-3-4-14(22)23/h5-6,8,10,21H,3-4,7,9H2,1-2H3,(H,20,24)/t10-/m0/s1.
What are the key properties of (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 359.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 41397253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).