[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium

C20H31FN3O2+ — CID 9300165

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(C)(C)NC(=O)NC(=O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C20H30FN3O2/c1-20(2,3)23-19(26)22-18(25)14-24(17-7-5-4-6-8-17)13-15-9-11-16(21)12-10-15/h9-12,17H,4-8,13-14H2,1-3H3,(H2,22,23,25,26)/p+1
InChIKeyHQSDNRUNFLISDS-UHFFFAOYSA-O
MW364.49 g/mol
LogP2.17
Rot. Bonds5

About [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 9300165) has the molecular formula C20H31FN3O2+ and a molecular weight of 364.49 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
PubChem CID9300165
Molecular FormulaC20H31FN3O2+
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
SMILESCC(C)(C)NC(=O)NC(=O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C20H30FN3O2/c1-20(2,3)23-19(26)22-18(25)14-24(17-7-5-4-6-8-17)13-15-9-11-16(21)12-10-15/h9-12,17H,4-8,13-14H2,1-3H3,(H2,22,23,25,26)/p+1
InChIKeyHQSDNRUNFLISDS-UHFFFAOYSA-O
XLogP2.17
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8906036
cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9300267
[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 9300274
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 8710974
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907562
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023440
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
cyclopropyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872593

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium (CID 9300165) is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium is CC(C)(C)NC(=O)NC(=O)C[NH+](Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is HQSDNRUNFLISDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H30FN3O2/c1-20(2,3)23-19(26)22-18(25)14-24(17-7-5-4-6-8-17)13-15-9-11-16(21)12-10-15/h9-12,17H,4-8,13-14H2,1-3H3,(H2,22,23,25,26)/p+1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium?
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 364.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 9300165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).