methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate

C15H21FN2O3 — CID 60966267

IUPACmethyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-11(15(20)21-3)9-18(2)10-14(19)17-8-12-6-4-5-7-13(12)16/h4-7,11H,8-10H2,1-3H3,(H,17,19)
InChIKeyQWBXADNXHPALMX-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.18
Rot. Bonds7

About methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60966267) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60966267
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Namemethyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-11(15(20)21-3)9-18(2)10-14(19)17-8-12-6-4-5-7-13(12)16/h4-7,11H,8-10H2,1-3H3,(H,17,19)
InChIKeyQWBXADNXHPALMX-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
CID 60966133
2-[2-hydroxypropyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 62334688
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
methyl 2-methyl-3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoate
CID 60704243
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110923577
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
N-[(2-fluorophenyl)methyl]-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022576
2-[(E)-[amino(dimethylamino)methylidene]amino]oxy-N-[(2-fluorophenyl)methyl]acetamide
CID 71848615
methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
CID 61036324

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60966267) is methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC(=O)NCc1ccccc1F.
What is the InChIKey of methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is QWBXADNXHPALMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11(15(20)21-3)9-18(2)10-14(19)17-8-12-6-4-5-7-13(12)16/h4-7,11H,8-10H2,1-3H3,(H,17,19).
What are the key properties of methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 296.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60966267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).