[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

C22H24F2N2O7 — CID 29155297

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1OCC
InChIInChI=1S/C22H24F2N2O7/c1-3-30-17-10-5-14(11-18(17)31-4-2)21(29)25-12-20(28)32-13-19(27)26-15-6-8-16(9-7-15)33-22(23)24/h5-11,22H,3-4,12-13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyUKEPROYZDNKODQ-UHFFFAOYSA-N
MW466.44 g/mol
LogP3.00
Rot. Bonds12

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (PubChem CID 29155297) has the molecular formula C22H24F2N2O7 and a molecular weight of 466.44 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
PubChem CID29155297
Molecular FormulaC22H24F2N2O7
Molecular Weight466.44 g/mol
Exact Mass466.16
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1OCC
InChIInChI=1S/C22H24F2N2O7/c1-3-30-17-10-5-14(11-18(17)31-4-2)21(29)25-12-20(28)32-13-19(27)26-15-6-8-16(9-7-15)33-22(23)24/h5-11,22H,3-4,12-13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyUKEPROYZDNKODQ-UHFFFAOYSA-N
XLogP3.00
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29197914
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
N-[2-[3-(difluoromethoxy)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55847529
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 35691422
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712285
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580651

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate (CID 29155297) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1OCC.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
The InChIKey is UKEPROYZDNKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O7/c1-3-30-17-10-5-14(11-18(17)31-4-2)21(29)25-12-20(28)32-13-19(27)26-15-6-8-16(9-7-15)33-22(23)24/h5-11,22H,3-4,12-13H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate has a molecular weight of 466.44 g/mol, XLogP of 3.00, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate is sourced from PubChem (CID 29155297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).