N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide

C17H24F3N3O — CID 120903624

IUPACN-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCNC(=O)CN(Cc1cccc(C(F)(F)F)c1)CC1(C)CCNC1
InChIInChI=1S/C17H24F3N3O/c1-16(6-7-22-11-16)12-23(10-15(24)21-2)9-13-4-3-5-14(8-13)17(18,19)20/h3-5,8,22H,6-7,9-12H2,1-2H3,(H,21,24)
InChIKeyMWUOSJXRIVFWIV-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.25
Rot. Bonds6

About N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 120903624) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID120903624
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC NameN-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCNC(=O)CN(Cc1cccc(C(F)(F)F)c1)CC1(C)CCNC1
InChIInChI=1S/C17H24F3N3O/c1-16(6-7-22-11-16)12-23(10-15(24)21-2)9-13-4-3-5-14(8-13)17(18,19)20/h3-5,8,22H,6-7,9-12H2,1-2H3,(H,21,24)
InChIKeyMWUOSJXRIVFWIV-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-bromophenyl)methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120905444
N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120719963
1-(3-propan-2-ylpyrrolidin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 106982175
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 99937074
N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide
CID 120905800
(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95725925
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 120903624) is N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide is CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)CC1(C)CCNC1.
What is the InChIKey of N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is MWUOSJXRIVFWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-16(6-7-22-11-16)12-23(10-15(24)21-2)9-13-4-3-5-14(8-13)17(18,19)20/h3-5,8,22H,6-7,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylpyrrolidin-3-yl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 120903624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).