methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate

C14H17F2NO4 — CID 60767021

IUPACmethyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cccc(OC(F)F)c1)C(C)C
InChIInChI=1S/C14H17F2NO4/c1-9(2)17(8-12(18)20-3)13(19)10-5-4-6-11(7-10)21-14(15)16/h4-7,9,14H,8H2,1-3H3
InChIKeyOKOVTKOQOFNSSV-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.31
Rot. Bonds6

About methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate

methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate (PubChem CID 60767021) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
PubChem CID60767021
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cccc(OC(F)F)c1)C(C)C
InChIInChI=1S/C14H17F2NO4/c1-9(2)17(8-12(18)20-3)13(19)10-5-4-6-11(7-10)21-14(15)16/h4-7,9,14H,8H2,1-3H3
InChIKeyOKOVTKOQOFNSSV-UHFFFAOYSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 63390814
methyl 2-[(3-cyanobenzoyl)-propan-2-ylamino]acetate
CID 54941803
N-(2-chloroethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 63393651
methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884783
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 63195216
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate (CID 60767021) is methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cccc(OC(F)F)c1)C(C)C.
What is the InChIKey of methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate?
The InChIKey is OKOVTKOQOFNSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-9(2)17(8-12(18)20-3)13(19)10-5-4-6-11(7-10)21-14(15)16/h4-7,9,14H,8H2,1-3H3.
What are the key properties of methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate?
methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate has a molecular weight of 301.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 60767021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).