N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide

C16H28N2O2 — CID 47016971

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)C2CC=CCC2)C1
InChIInChI=1S/C16H28N2O2/c1-13(2)11-18-8-9-20-15(12-18)10-17-16(19)14-6-4-3-5-7-14/h3-4,13-15H,5-12H2,1-2H3,(H,17,19)
InChIKeySRWLWADSRBOZCQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.82
Rot. Bonds5

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 47016971) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID47016971
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)C2CC=CCC2)C1
InChIInChI=1S/C16H28N2O2/c1-13(2)11-18-8-9-20-15(12-18)10-17-16(19)14-6-4-3-5-7-14/h3-4,13-15H,5-12H2,1-2H3,(H,17,19)
InChIKeySRWLWADSRBOZCQ-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-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-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 47016971) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide is CC(C)CN1CCOC(CNC(=O)C2CC=CCC2)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is SRWLWADSRBOZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)11-18-8-9-20-15(12-18)10-17-16(19)14-6-4-3-5-7-14/h3-4,13-15H,5-12H2,1-2H3,(H,17,19).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 47016971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).