methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate

C14H16F3NO3 — CID 61011016

IUPACmethyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3/c1-3-18(8-7-12(19)21-2)13(20)10-5-4-6-11(9-10)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3
InChIKeySBZGVLLHTOVGOO-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.73
Rot. Bonds5

About methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate

methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate (PubChem CID 61011016) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
PubChem CID61011016
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Namemethyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3/c1-3-18(8-7-12(19)21-2)13(20)10-5-4-6-11(9-10)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3
InChIKeySBZGVLLHTOVGOO-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
CID 54898552
N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 79380762
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
methyl 3-[(3,4-dimethylbenzoyl)-ethylamino]propanoate
CID 54898933
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
CID 17397571

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate (CID 61011016) is methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate?
The InChIKey is SBZGVLLHTOVGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-3-18(8-7-12(19)21-2)13(20)10-5-4-6-11(9-10)14(15,16)17/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate?
methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate has a molecular weight of 303.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate is sourced from PubChem (CID 61011016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).