[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

C13H18F2N3O3+ — CID 8709316

IUPAC[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2N3O3/c1-16-13(20)17-11(19)8-18(2)7-9-3-5-10(6-4-9)21-12(14)15/h3-6,12H,7-8H2,1-2H3,(H2,16,17,19,20)/p+1
InChIKeyRZPAHIGHXVCWMX-UHFFFAOYSA-O
MW302.30 g/mol
LogP-0.24
Rot. Bonds6

About [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8709316) has the molecular formula C13H18F2N3O3+ and a molecular weight of 302.30 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8709316
Molecular FormulaC13H18F2N3O3+
Molecular Weight302.30 g/mol
Exact Mass302.13
IUPAC Name[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2N3O3/c1-16-13(20)17-11(19)8-18(2)7-9-3-5-10(6-4-9)21-12(14)15/h3-6,12H,7-8H2,1-2H3,(H2,16,17,19,20)/p+1
InChIKeyRZPAHIGHXVCWMX-UHFFFAOYSA-O
XLogP-0.24
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9023444
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023440
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8710176
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023992
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023767
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 9023713
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023807
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9024087
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9024107
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761112
(5-chlorothiophen-2-yl)methyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylazanium
CID 8787296

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (CID 8709316) is [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is CNC(=O)NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is RZPAHIGHXVCWMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17F2N3O3/c1-16-13(20)17-11(19)8-18(2)7-9-3-5-10(6-4-9)21-12(14)15/h3-6,12H,7-8H2,1-2H3,(H2,16,17,19,20)/p+1.
What are the key properties of [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 302.30 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8709316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).