methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate

C15H21FN2O3 — CID 61036324

IUPACmethyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)NCc1ccccc1F)CC(=O)OC
InChIInChI=1S/C15H21FN2O3/c1-3-8-18(11-15(20)21-2)10-14(19)17-9-12-6-4-5-7-13(12)16/h4-7H,3,8-11H2,1-2H3,(H,17,19)
InChIKeySHFVYSMMTIXRGV-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.33
Rot. Bonds8

About methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate

methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate (PubChem CID 61036324) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
PubChem CID61036324
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Namemethyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)NCc1ccccc1F)CC(=O)OC
InChIInChI=1S/C15H21FN2O3/c1-3-8-18(11-15(20)21-2)10-14(19)17-9-12-6-4-5-7-13(12)16/h4-7H,3,8-11H2,1-2H3,(H,17,19)
InChIKeySHFVYSMMTIXRGV-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
CID 104794477
methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
CID 55005808
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
CID 95262158
N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60501069
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
CID 61036321
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60966267
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 106615025
2-[ethyl(2H-tetrazol-5-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 167898743
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate (CID 61036324) is methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)NCc1ccccc1F)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate?
The InChIKey is SHFVYSMMTIXRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-8-18(11-15(20)21-2)10-14(19)17-9-12-6-4-5-7-13(12)16/h4-7H,3,8-11H2,1-2H3,(H,17,19).
What are the key properties of methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate?
methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate has a molecular weight of 296.34 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate is sourced from PubChem (CID 61036324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).