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

C18H24F2N2O6 — CID 7580651

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
SMILESCCC(CC)NC(=O)COC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C18H24F2N2O6/c1-4-12(5-2)22-15(23)10-27-16(24)9-21-17(25)11-6-7-13(28-18(19)20)14(8-11)26-3/h6-8,12,18H,4-5,9-10H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyHBWIWEPKOGJYCL-UHFFFAOYSA-N
MW402.39 g/mol
LogP1.87
Rot. Bonds11

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

[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate (PubChem CID 7580651) has the molecular formula C18H24F2N2O6 and a molecular weight of 402.39 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
PubChem CID7580651
Molecular FormulaC18H24F2N2O6
Molecular Weight402.39 g/mol
Exact Mass402.16
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
SMILESCCC(CC)NC(=O)COC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C18H24F2N2O6/c1-4-12(5-2)22-15(23)10-27-16(24)9-21-17(25)11-6-7-13(28-18(19)20)14(8-11)26-3/h6-8,12,18H,4-5,9-10H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyHBWIWEPKOGJYCL-UHFFFAOYSA-N
XLogP1.87
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
[2-oxo-2-(pentan-3-ylamino)ethyl] (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 2601398
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate (CID 7580651) is [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate is CCC(CC)NC(=O)COC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
The InChIKey is HBWIWEPKOGJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O6/c1-4-12(5-2)22-15(23)10-27-16(24)9-21-17(25)11-6-7-13(28-18(19)20)14(8-11)26-3/h6-8,12,18H,4-5,9-10H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate?
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate has a molecular weight of 402.39 g/mol, XLogP of 1.87, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate is sourced from PubChem (CID 7580651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).