methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate

C15H19F2NO4 — CID 78884783

IUPACmethyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ccc(OC(F)F)cc1)C(C)C
InChIInChI=1S/C15H19F2NO4/c1-10(2)18(9-14(20)21-3)13(19)8-11-4-6-12(7-5-11)22-15(16)17/h4-7,10,15H,8-9H2,1-3H3
InChIKeyXREQTAZABGMZAW-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.24
Rot. Bonds7

About methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate

methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate (PubChem CID 78884783) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
PubChem CID78884783
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Namemethyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)Cc1ccc(OC(F)F)cc1)C(C)C
InChIInChI=1S/C15H19F2NO4/c1-10(2)18(9-14(20)21-3)13(19)8-11-4-6-12(7-5-11)22-15(16)17/h4-7,10,15H,8-9H2,1-3H3
InChIKeyXREQTAZABGMZAW-UHFFFAOYSA-N
XLogP2.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884649
methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
CID 78878003
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 60766581
methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
CID 60767021
2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide
CID 95329453
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78809159
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate (CID 78884783) is methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)Cc1ccc(OC(F)F)cc1)C(C)C.
What is the InChIKey of methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate?
The InChIKey is XREQTAZABGMZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-10(2)18(9-14(20)21-3)13(19)8-11-4-6-12(7-5-11)22-15(16)17/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate?
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate has a molecular weight of 315.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 78884783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).