3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea

C18H36N4O2 — CID 4279105

IUPAC3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC1CC(CNC(=O)N(CC)CC)C1(C)C
InChIInChI=1S/C18H36N4O2/c1-7-21(8-2)16(23)19-12-14-11-15(18(14,5)6)13-20-17(24)22(9-3)10-4/h14-15H,7-13H2,1-6H3,(H,19,23)(H,20,24)
InChIKeyUNKIRNVVGCMQIK-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.75
Rot. Bonds8

About 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea

3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea (PubChem CID 4279105) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea
PubChem CID4279105
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC1CC(CNC(=O)N(CC)CC)C1(C)C
InChIInChI=1S/C18H36N4O2/c1-7-21(8-2)16(23)19-12-14-11-15(18(14,5)6)13-20-17(24)22(9-3)10-4/h14-15H,7-13H2,1-6H3,(H,19,23)(H,20,24)
InChIKeyUNKIRNVVGCMQIK-UHFFFAOYSA-N
XLogP2.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea 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 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea?
The IUPAC name of 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea (CID 4279105) is 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea.
What is the SMILES notation for 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea?
The canonical SMILES for 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea is CCN(CC)C(=O)NCC1CC(CNC(=O)N(CC)CC)C1(C)C.
What is the InChIKey of 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea?
The InChIKey is UNKIRNVVGCMQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-7-21(8-2)16(23)19-12-14-11-15(18(14,5)6)13-20-17(24)22(9-3)10-4/h14-15H,7-13H2,1-6H3,(H,19,23)(H,20,24).
What are the key properties of 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea?
3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea has a molecular weight of 340.51 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(diethylcarbamoylamino)methyl]-2,2-dimethylcyclobutyl]methyl]-1,1-diethylurea is sourced from PubChem (CID 4279105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).