ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate

C11H22N4O3 — CID 54202801

IUPACethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate
SMILESCCOC(=NC(=O)N(C)C)NC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N4O3/c1-7-18-9(13-10(17)15(5)6)12-8(16)14-11(2,3)4/h7H2,1-6H3,(H2,12,13,14,16,17)
InChIKeyPQKXUXAFUNJHBY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.16
Rot. Bonds1

About ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate

ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate (PubChem CID 54202801) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate.

Molecular Properties

Compound Nameethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate
PubChem CID54202801
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Nameethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate
SMILESCCOC(=NC(=O)N(C)C)NC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N4O3/c1-7-18-9(13-10(17)15(5)6)12-8(16)14-11(2,3)4/h7H2,1-6H3,(H2,12,13,14,16,17)
InChIKeyPQKXUXAFUNJHBY-UHFFFAOYSA-N
XLogP1.16
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[bis(methylsulfanyl)carbamoyl]-N'-(dimethylcarbamoyl)carbamimidate
CID 173453323
methyl N-(butylsulfanylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate
CID 173453378
[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
CID 2108654
diethyl 2-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]propanedioate
CID 10870349
N-(tert-butylcarbamoyl)-2,2-dimethylpropanamide
CID 58200215
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 62012945
ethyl 5-(dimethylamino)-4,4-dimethyl-3,5-dioxopentanoate
CID 59710928
2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide
CID 104920863
ethyl 7-[[amino-(tert-butylamino)methylidene]amino]heptanoate
CID 111072905
methyl 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-propylamino]acetate
CID 62013300

Frequently Asked Questions

What is the IUPAC name of ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate?
The IUPAC name of ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate (CID 54202801) is ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate.
What is the SMILES notation for ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate?
The canonical SMILES for ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate is CCOC(=NC(=O)N(C)C)NC(=O)NC(C)(C)C.
What is the InChIKey of ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate?
The InChIKey is PQKXUXAFUNJHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-7-18-9(13-10(17)15(5)6)12-8(16)14-11(2,3)4/h7H2,1-6H3,(H2,12,13,14,16,17).
What are the key properties of ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate?
ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate has a molecular weight of 258.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(tert-butylcarbamoyl)-N'-(dimethylcarbamoyl)carbamimidate is sourced from PubChem (CID 54202801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).