methyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate

C18H32N4O3 — CID 21442048

IUPACmethyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate
SMILES[H]/N=C(\OC)N(C(=O)NCC1CCCCC1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H32N4O3/c1-25-16(19)22(17(23)20-12-14-8-4-2-5-9-14)18(24)21-13-15-10-6-3-7-11-15/h14-15,19H,2-13H2,1H3,(H,20,23)(H,21,24)/b19-16-
InChIKeyBDKHJSPZRPJDRG-MNDPQUGUSA-N
MW352.48 g/mol
LogP3.45
Rot. Bonds4

About methyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate

methyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate (PubChem CID 21442048) 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 CID21442048
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Namemethyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate
SMILES[H]/N=C(\OC)N(C(=O)NCC1CCCCC1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H32N4O3/c1-25-16(19)22(17(23)20-12-14-8-4-2-5-9-14)18(24)21-13-15-10-6-3-7-11-15/h14-15,19H,2-13H2,1H3,(H,20,23)(H,21,24)/b19-16-
InChIKeyBDKHJSPZRPJDRG-MNDPQUGUSA-N
XLogP3.45
TPSA94.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.45
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'}

Analyze methyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 21442048) 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 [H]/N=C(\OC)N(C(=O)NCC1CCCCC1)C(=O)NCC1CCCCC1.
What is the InChIKey of methyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate?
The InChIKey is BDKHJSPZRPJDRG-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-25-16(19)22(17(23)20-12-14-8-4-2-5-9-14)18(24)21-13-15-10-6-3-7-11-15/h14-15,19H,2-13H2,1H3,(H,20,23)(H,21,24)/b19-16-.
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 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-bis(cyclohexylmethylcarbamoyl)carbamimidate is sourced from PubChem (CID 21442048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).