1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine

C12H18N6O — CID 123315426

IUPAC1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine
SMILESCC(=O)NNC(N)=N/C(N)=N/CCc1ccccc1
InChIInChI=1S/C12H18N6O/c1-9(19)17-18-12(14)16-11(13)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,19)(H5,13,14,15,16,18)
InChIKeyYULOKKOASLPKCA-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.50
Rot. Bonds3

About 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine

1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine (PubChem CID 123315426) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine
PubChem CID123315426
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine
SMILESCC(=O)NNC(N)=N/C(N)=N/CCc1ccccc1
InChIInChI=1S/C12H18N6O/c1-9(19)17-18-12(14)16-11(13)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,19)(H5,13,14,15,16,18)
InChIKeyYULOKKOASLPKCA-UHFFFAOYSA-N
XLogP-0.50
TPSA117.89 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(2-phenylethyl)guanidine
CID 134125827
1-amino-2-(2-phenylethyl)guanidine;hydroiodide
CID 158954374
1,2-bis(2-phenylethyl)guanidine
CID 111022877
(2-methyl-3-oxobutan-2-yl) N'-(2-phenylethyl)carbamimidothioate
CID 146271700
N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
CID 173065239
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
N'-[N'-[2-(2,3,4-trideuteriophenyl)ethyl]carbamimidoyl]ethanimidamide
CID 160766309
2-acetamido-4-phenylbutanamide
CID 67451841
1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
CID 116512281

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine?
The IUPAC name of 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine (CID 123315426) is 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine.
What is the SMILES notation for 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine?
The canonical SMILES for 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine is CC(=O)NNC(N)=N/C(N)=N/CCc1ccccc1.
What is the InChIKey of 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine?
The InChIKey is YULOKKOASLPKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9(19)17-18-12(14)16-11(13)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,19)(H5,13,14,15,16,18).
What are the key properties of 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine?
1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine has a molecular weight of 262.32 g/mol, XLogP of -0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-2-[N'-(2-phenylethyl)carbamimidoyl]guanidine is sourced from PubChem (CID 123315426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).