N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide

C18H30N2O2 — CID 166251198

IUPACN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide
SMILESCC1CC=C(C(=O)NC2CC(N3CCOCC3)C2(C)C)CC1
InChIInChI=1S/C18H30N2O2/c1-13-4-6-14(7-5-13)17(21)19-15-12-16(18(15,2)3)20-8-10-22-11-9-20/h6,13,15-16H,4-5,7-12H2,1-3H3,(H,19,21)
InChIKeyXZXUMUALLHOXFG-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.35
Rot. Bonds3

About N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide

N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide (PubChem CID 166251198) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide
PubChem CID166251198
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide
SMILESCC1CC=C(C(=O)NC2CC(N3CCOCC3)C2(C)C)CC1
InChIInChI=1S/C18H30N2O2/c1-13-4-6-14(7-5-13)17(21)19-15-12-16(18(15,2)3)20-8-10-22-11-9-20/h6,13,15-16H,4-5,7-12H2,1-3H3,(H,19,21)
InChIKeyXZXUMUALLHOXFG-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide 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 N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide (CID 166251198) is N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide is CC1CC=C(C(=O)NC2CC(N3CCOCC3)C2(C)C)CC1.
What is the InChIKey of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide?
The InChIKey is XZXUMUALLHOXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13-4-6-14(7-5-13)17(21)19-15-12-16(18(15,2)3)20-8-10-22-11-9-20/h6,13,15-16H,4-5,7-12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide?
N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-morpholin-4-ylcyclobutyl)-4-methylcyclohexene-1-carboxamide is sourced from PubChem (CID 166251198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).