N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide

C15H32N4O2 — CID 111212331

IUPACN-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide
SMILESCCCCCCC(C)N/C(=N/C)NCC(=O)NCCOC
InChIInChI=1S/C15H32N4O2/c1-5-6-7-8-9-13(2)19-15(16-3)18-12-14(20)17-10-11-21-4/h13H,5-12H2,1-4H3,(H,17,20)(H2,16,18,19)
InChIKeyUIWNKWGKMTUQTM-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.27
Rot. Bonds11

About N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide

N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide (PubChem CID 111212331) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide
PubChem CID111212331
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC NameN-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide
SMILESCCCCCCC(C)N/C(=N/C)NCC(=O)NCCOC
InChIInChI=1S/C15H32N4O2/c1-5-6-7-8-9-13(2)19-15(16-3)18-12-14(20)17-10-11-21-4/h13H,5-12H2,1-4H3,(H,17,20)(H2,16,18,19)
InChIKeyUIWNKWGKMTUQTM-UHFFFAOYSA-N
XLogP1.27
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]-N-propylacetamide
CID 111195280
2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide
CID 111195279
2-[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 110999827
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212994
1-(5-methoxypentyl)-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212382
1-(2-ethoxyethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212471
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
CID 115712027
methyl 3-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]propanoate
CID 111195200
2-methyl-1-octan-2-yl-3-propylguanidine
CID 111212541
N-(2-methoxyethyl)-2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111180580
2-[[(2-methoxyethylamino)-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541180
methyl 5-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]pentanoate
CID 111195178

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide (CID 111212331) is N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide is CCCCCCC(C)N/C(=N/C)NCC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide?
The InChIKey is UIWNKWGKMTUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-5-6-7-8-9-13(2)19-15(16-3)18-12-14(20)17-10-11-21-4/h13H,5-12H2,1-4H3,(H,17,20)(H2,16,18,19).
What are the key properties of N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide?
N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide has a molecular weight of 300.45 g/mol, XLogP of 1.27, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 111212331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).