2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide

C16H22F3N3O3 — CID 24566510

IUPAC2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H22F3N3O3/c1-3-8-20-14(23)10-22(2)11-15(24)21-9-12-6-4-5-7-13(12)25-16(17,18)19/h4-7H,3,8-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLKLHSLCMPMKUPM-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.66
Rot. Bonds9

About 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide

2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide (PubChem CID 24566510) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
PubChem CID24566510
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H22F3N3O3/c1-3-8-20-14(23)10-22(2)11-15(24)21-9-12-6-4-5-7-13(12)25-16(17,18)19/h4-7H,3,8-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLKLHSLCMPMKUPM-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24568076
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24566367
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 38512223
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24565559
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24682270
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51286450
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299
N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide
CID 75271196
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide (CID 24566510) is 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide?
The InChIKey is LKLHSLCMPMKUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-3-8-20-14(23)10-22(2)11-15(24)21-9-12-6-4-5-7-13(12)25-16(17,18)19/h4-7H,3,8-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide?
2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide has a molecular weight of 361.36 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide is sourced from PubChem (CID 24566510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).