N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

C17H23F3N2O2 — CID 11508435

IUPACN-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCOc1cc(C(F)(F)F)ccc1CN(C(=O)C(C)C)[C@H]1CCNC1
InChIInChI=1S/C17H23F3N2O2/c1-11(2)16(23)22(14-6-7-21-9-14)10-12-4-5-13(17(18,19)20)8-15(12)24-3/h4-5,8,11,14,21H,6-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyYTPLIYGFABGTNF-AWEZNQCLSA-N
MW344.38 g/mol
LogP3.06
Rot. Bonds5

About N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11508435) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11508435
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCOc1cc(C(F)(F)F)ccc1CN(C(=O)C(C)C)[C@H]1CCNC1
InChIInChI=1S/C17H23F3N2O2/c1-11(2)16(23)22(14-6-7-21-9-14)10-12-4-5-13(17(18,19)20)8-15(12)24-3/h4-5,8,11,14,21H,6-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyYTPLIYGFABGTNF-AWEZNQCLSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide with MolForge

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Related Compounds

1-[(3R,4S)-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidin-1-yl]ethanone;hydrochloride
CID 57400914
(S)-N-(2-phenoxybenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11709831
(2R)-N-(4-Amino-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-[2-methoxy-6-(trifluoromethyl)benzyl]pyrrolidine-2-carboxamide
CID 46944251
methyl N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 155699160
N-(2-ethoxybenzyl)-1-isopropyl-5-oxoprolinamide
CID 3244684
2-(S)-Amino-4-(2-methoxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11150893
2-(S)-Amino-4-(3-methoxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11220471
1-cyclopropyl-6-oxo-N-[2-(trifluoromethoxy)benzyl]-3-piperidinecarboxamide
CID 24819380
N-[(3-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45489246
(2S)-1-ethyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 49865005
N-(2,5-dimethoxybenzyl)-1-isopropyl-5-oxoprolinamide
CID 3295063
1-isopropyl-N-(2-methoxybenzyl)-5-oxoprolinamide
CID 3429046

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11508435) is N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is COc1cc(C(F)(F)F)ccc1CN(C(=O)C(C)C)[C@H]1CCNC1.
What is the InChIKey of N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is YTPLIYGFABGTNF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11(2)16(23)22(14-6-7-21-9-14)10-12-4-5-13(17(18,19)20)8-15(12)24-3/h4-5,8,11,14,21H,6-7,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11508435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).