methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate

C14H26N4O3 — CID 21442298

IUPACmethyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate
SMILES[H]/N=C(\OC)N(C(=O)NC(C)C)C(=O)NC1CCCCC1C
InChIInChI=1S/C14H26N4O3/c1-9(2)16-13(19)18(12(15)21-4)14(20)17-11-8-6-5-7-10(11)3/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,20)/b15-12-
InChIKeyBDBZDAZHBJIHAI-QINSGFPZSA-N
MW298.39 g/mol
LogP2.28
Rot. Bonds2

About methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate

methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate (PubChem CID 21442298) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate.

Molecular Properties

Compound Namemethyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate
PubChem CID21442298
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Namemethyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate
SMILES[H]/N=C(\OC)N(C(=O)NC(C)C)C(=O)NC1CCCCC1C
InChIInChI=1S/C14H26N4O3/c1-9(2)16-13(19)18(12(15)21-4)14(20)17-11-8-6-5-7-10(11)3/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,20)/b15-12-
InChIKeyBDBZDAZHBJIHAI-QINSGFPZSA-N
XLogP2.28
TPSA94.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate?
The IUPAC name of methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate (CID 21442298) is methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate.
What is the SMILES notation for methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate?
The canonical SMILES for methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate is [H]/N=C(\OC)N(C(=O)NC(C)C)C(=O)NC1CCCCC1C.
What is the InChIKey of methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate?
The InChIKey is BDBZDAZHBJIHAI-QINSGFPZSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)16-13(19)18(12(15)21-4)14(20)17-11-8-6-5-7-10(11)3/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,20)/b15-12-.
What are the key properties of methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate?
methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate has a molecular weight of 298.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methylcyclohexyl)carbamoyl]-N-(propan-2-ylcarbamoyl)carbamimidate is sourced from PubChem (CID 21442298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).