[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate

C16H20F2N2O6 — CID 7580652

IUPAC[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
SMILESCCCNC(=O)COC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C16H20F2N2O6/c1-3-6-19-13(21)9-25-14(22)8-20-15(23)10-4-5-11(26-16(17)18)12(7-10)24-2/h4-5,7,16H,3,6,8-9H2,1-2H3,(H,19,21)(H,20,23)
InChIKeySFIRFRREQGNTTG-UHFFFAOYSA-N
MW374.34 g/mol
LogP1.10
Rot. Bonds10

About [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate

[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate (PubChem CID 7580652) has the molecular formula C16H20F2N2O6 and a molecular weight of 374.34 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
PubChem CID7580652
Molecular FormulaC16H20F2N2O6
Molecular Weight374.34 g/mol
Exact Mass374.13
IUPAC Name[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
SMILESCCCNC(=O)COC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C16H20F2N2O6/c1-3-6-19-13(21)9-25-14(22)8-20-15(23)10-4-5-11(26-16(17)18)12(7-10)24-2/h4-5,7,16H,3,6,8-9H2,1-2H3,(H,19,21)(H,20,23)
InChIKeySFIRFRREQGNTTG-UHFFFAOYSA-N
XLogP1.10
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate with MolForge

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580651
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
4-(difluoromethoxy)-N-[2-[3-[ethylsulfonyl(methyl)amino]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55693685
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878245

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate (CID 7580652) is [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate is CCCNC(=O)COC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The InChIKey is SFIRFRREQGNTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O6/c1-3-6-19-13(21)9-25-14(22)8-20-15(23)10-4-5-11(26-16(17)18)12(7-10)24-2/h4-5,7,16H,3,6,8-9H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate has a molecular weight of 374.34 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate is sourced from PubChem (CID 7580652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).