methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate

C15H20FNO4 — CID 115745885

IUPACmethyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C15H20FNO4/c1-11-10-12(16)4-5-13(11)15(19)17(8-9-20-2)7-6-14(18)21-3/h4-5,10H,6-9H2,1-3H3
InChIKeyCBXCBFSFQVSNAV-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.79
Rot. Bonds7

About methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 115745885) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
PubChem CID115745885
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Namemethyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C15H20FNO4/c1-11-10-12(16)4-5-13(11)15(19)17(8-9-20-2)7-6-14(18)21-3/h4-5,10H,6-9H2,1-3H3
InChIKeyCBXCBFSFQVSNAV-UHFFFAOYSA-N
XLogP1.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78958878
N-(3-amino-3-sulfanylidenepropyl)-2,4-difluoro-N-(2-methoxyethyl)benzamide
CID 63287156
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
methyl 3-[(2-bromo-4-chlorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103765245
methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115970502
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
methyl 3-[(6-fluoropyridine-3-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78962224
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 78959326
N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 113468216
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate (CID 115745885) is methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1ccc(F)cc1C.
What is the InChIKey of methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is CBXCBFSFQVSNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-11-10-12(16)4-5-13(11)15(19)17(8-9-20-2)7-6-14(18)21-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 297.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115745885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).