[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium

C14H27N4O4+ — CID 8711610

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4/c1-14(2,3)16-13(21)15-11(19)9-17(4)10-12(20)18-5-7-22-8-6-18/h5-10H2,1-4H3,(H2,15,16,19,21)/p+1
InChIKeyIYAZKXHDXLIJAZ-UHFFFAOYSA-O
MW315.39 g/mol
LogP-2.02
Rot. Bonds4

About [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium (PubChem CID 8711610) has the molecular formula C14H27N4O4+ and a molecular weight of 315.39 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
PubChem CID8711610
Molecular FormulaC14H27N4O4+
Molecular Weight315.39 g/mol
Exact Mass315.20
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4/c1-14(2,3)16-13(21)15-11(19)9-17(4)10-12(20)18-5-7-22-8-6-18/h5-10H2,1-4H3,(H2,15,16,19,21)/p+1
InChIKeyIYAZKXHDXLIJAZ-UHFFFAOYSA-O
XLogP-2.02
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711764
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8693187
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium
CID 8766762
methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8588773
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8711428
[2-(3,5-dichloroanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711406
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711780
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711796
[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711576
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8693249
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711432
N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 51242479

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium (CID 8711610) is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium is C[NH+](CC(=O)NC(=O)NC(C)(C)C)CC(=O)N1CCOCC1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The InChIKey is IYAZKXHDXLIJAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N4O4/c1-14(2,3)16-13(21)15-11(19)9-17(4)10-12(20)18-5-7-22-8-6-18/h5-10H2,1-4H3,(H2,15,16,19,21)/p+1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium has a molecular weight of 315.39 g/mol, XLogP of -2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium is sourced from PubChem (CID 8711610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).