2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide

C9H18N4O2 — CID 162769148

IUPAC2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide
SMILESCC(=O)NCC(=O)N/C(N)=N/C(C)(C)C
InChIInChI=1S/C9H18N4O2/c1-6(14)11-5-7(15)12-8(10)13-9(2,3)4/h5H2,1-4H3,(H,11,14)(H3,10,12,13,15)
InChIKeyFZFIJUIFIAKWPE-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.65
Rot. Bonds2

About 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide

2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide (PubChem CID 162769148) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide
PubChem CID162769148
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide
SMILESCC(=O)NCC(=O)N/C(N)=N/C(C)(C)C
InChIInChI=1S/C9H18N4O2/c1-6(14)11-5-7(15)12-8(10)13-9(2,3)4/h5H2,1-4H3,(H,11,14)(H3,10,12,13,15)
InChIKeyFZFIJUIFIAKWPE-UHFFFAOYSA-N
XLogP-0.65
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
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

2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111493829
2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111493830
2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N,N'-dimethylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111501460
2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N,N'-dimethylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501461
2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111501468
2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501469
N-tert-butyl-2-[[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111501504
N-tert-butyl-2-[[N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]carbamimidoyl]amino]acetamide
CID 111501505
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111501506
2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501507
Ac-DL-Gly(guanidino)-DL-Gly(guanidino)-DL-Gly(guanidino)-DL-Agl-NH2
CID 59385793
1,1-Dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
CID 59876257

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide?
The IUPAC name of 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide (CID 162769148) is 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide?
The canonical SMILES for 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide is CC(=O)NCC(=O)N/C(N)=N/C(C)(C)C.
What is the InChIKey of 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide?
The InChIKey is FZFIJUIFIAKWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-6(14)11-5-7(15)12-8(10)13-9(2,3)4/h5H2,1-4H3,(H,11,14)(H3,10,12,13,15).
What are the key properties of 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide?
2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide has a molecular weight of 214.27 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(N'-tert-butylcarbamimidoyl)acetamide is sourced from PubChem (CID 162769148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).