methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate

C18H32N4O3 — CID 70632489

IUPACmethyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate
SMILESCOC(=NC(=O)NCC1CCCCC1)NC(=O)NCC1CCCCC1
InChIInChI=1S/C18H32N4O3/c1-25-18(21-16(23)19-12-14-8-4-2-5-9-14)22-17(24)20-13-15-10-6-3-7-11-15/h14-15H,2-13H2,1H3,(H3,19,20,21,22,23,24)
InChIKeyVGNBHHLAORYNGE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.16
Rot. Bonds4

About methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate

methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate (PubChem CID 70632489) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate.

Molecular Properties

Compound Namemethyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate
PubChem CID70632489
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Namemethyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate
SMILESCOC(=NC(=O)NCC1CCCCC1)NC(=O)NCC1CCCCC1
InChIInChI=1S/C18H32N4O3/c1-25-18(21-16(23)19-12-14-8-4-2-5-9-14)22-17(24)20-13-15-10-6-3-7-11-15/h14-15H,2-13H2,1H3,(H3,19,20,21,22,23,24)
InChIKeyVGNBHHLAORYNGE-UHFFFAOYSA-N
XLogP3.16
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate?
The IUPAC name of methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate (CID 70632489) is methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate.
What is the SMILES notation for methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate?
The canonical SMILES for methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate is COC(=NC(=O)NCC1CCCCC1)NC(=O)NCC1CCCCC1.
What is the InChIKey of methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate?
The InChIKey is VGNBHHLAORYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-25-18(21-16(23)19-12-14-8-4-2-5-9-14)22-17(24)20-13-15-10-6-3-7-11-15/h14-15H,2-13H2,1H3,(H3,19,20,21,22,23,24).
What are the key properties of methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate?
methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate has a molecular weight of 352.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-bis(cyclohexylmethylcarbamoyl)carbamimidate is sourced from PubChem (CID 70632489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).