methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate

C15H19F3N2O3 — CID 86818756

IUPACmethyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate
SMILESCOC(=O)C(c1cc(F)c(F)c(F)c1)N(C)C(=O)N(C)C(C)C
InChIInChI=1S/C15H19F3N2O3/c1-8(2)19(3)15(22)20(4)13(14(21)23-5)9-6-10(16)12(18)11(17)7-9/h6-8,13H,1-5H3
InChIKeyHZKHNDPPRIGZPZ-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.71
Rot. Bonds4

About methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate

methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate (PubChem CID 86818756) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate
PubChem CID86818756
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Namemethyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate
SMILESCOC(=O)C(c1cc(F)c(F)c(F)c1)N(C)C(=O)N(C)C(C)C
InChIInChI=1S/C15H19F3N2O3/c1-8(2)19(3)15(22)20(4)13(14(21)23-5)9-6-10(16)12(18)11(17)7-9/h6-8,13H,1-5H3
InChIKeyHZKHNDPPRIGZPZ-UHFFFAOYSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[methyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]-2-(3,4,5-trifluorophenyl)acetate
CID 97225818
methyl (2R)-2-[methyl(2-pyridin-4-ylethyl)amino]-2-(3,4,5-trifluorophenyl)acetate
CID 97061302
methyl 2-[[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-methylamino]-2-(3,4,5-trifluorophenyl)acetate
CID 71851891
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
methyl (2S)-2-(2,5-difluorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetate
CID 95277206
methyl 2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate
CID 130143027
methyl 2-[4-(dimethylsulfamoyloxy)-3-fluorophenyl]propanoate
CID 53375484
methyl 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374794
methyl (2R)-2-amino-2-(2,3,5,6-tetrafluorophenyl)acetate;hydrochloride
CID 171230098
2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
CID 63076271
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
CID 124640418
methyl 2,2-bis(3-cyclopropyl-4,5-difluorophenyl)acetate
CID 175141599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate?
The IUPAC name of methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate (CID 86818756) is methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate.
What is the SMILES notation for methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate?
The canonical SMILES for methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate is COC(=O)C(c1cc(F)c(F)c(F)c1)N(C)C(=O)N(C)C(C)C.
What is the InChIKey of methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate?
The InChIKey is HZKHNDPPRIGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-8(2)19(3)15(22)20(4)13(14(21)23-5)9-6-10(16)12(18)11(17)7-9/h6-8,13H,1-5H3.
What are the key properties of methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate?
methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate has a molecular weight of 332.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[methyl(propan-2-yl)carbamoyl]amino]-2-(3,4,5-trifluorophenyl)acetate is sourced from PubChem (CID 86818756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).