[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

C15H22F2N3O3+ — CID 9023444

IUPAC[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC(C)NC(=O)NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2N3O3/c1-10(2)18-15(22)19-13(21)9-20(3)8-11-4-6-12(7-5-11)23-14(16)17/h4-7,10,14H,8-9H2,1-3H3,(H2,18,19,21,22)/p+1
InChIKeyCXAUSOLIIIYDTD-UHFFFAOYSA-O
MW330.36 g/mol
LogP0.54
Rot. Bonds7

About [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium

[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (PubChem CID 9023444) has the molecular formula C15H22F2N3O3+ and a molecular weight of 330.36 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
PubChem CID9023444
Molecular FormulaC15H22F2N3O3+
Molecular Weight330.36 g/mol
Exact Mass330.16
IUPAC Name[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
SMILESCC(C)NC(=O)NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2N3O3/c1-10(2)18-15(22)19-13(21)9-20(3)8-11-4-6-12(7-5-11)23-14(16)17/h4-7,10,14H,8-9H2,1-3H3,(H2,18,19,21,22)/p+1
InChIKeyCXAUSOLIIIYDTD-UHFFFAOYSA-O
XLogP0.54
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium 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

[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8709316
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023440
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9261274
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761112
[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023992
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 9023713
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023767
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907739
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023807
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914596
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9024087

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The IUPAC name of [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium (CID 9023444) is [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The canonical SMILES for [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is CC(C)NC(=O)NC(=O)C[NH+](C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
The InChIKey is CXAUSOLIIIYDTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21F2N3O3/c1-10(2)18-15(22)19-13(21)9-20(3)8-11-4-6-12(7-5-11)23-14(16)17/h4-7,10,14H,8-9H2,1-3H3,(H2,18,19,21,22)/p+1.
What are the key properties of [4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium?
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium has a molecular weight of 330.36 g/mol, XLogP of 0.54, 7 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-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 9023444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).