N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol

C21H41NO4 — CID 178082793

IUPACN-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
SMILESCC(=O)C1CCC(NC(=O)CCCOC2CCCCC2)CC1.CC(C)O.[H][H]
InChIInChI=1S/C18H31NO3.C3H8O.H2/c1-14(20)15-9-11-16(12-10-15)19-18(21)8-5-13-22-17-6-3-2-4-7-17;1-3(2)4;/h15-17H,2-13H2,1H3,(H,19,21);3-4H,1-2H3;1H
InChIKeyMUCWVNVBWZTKRS-UHFFFAOYSA-N
MW371.56 g/mol
LogP4.01
Rot. Bonds7

About N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol

N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol (PubChem CID 178082793) has the molecular formula C21H41NO4 and a molecular weight of 371.56 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol.

Molecular Properties

Compound NameN-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
PubChem CID178082793
Molecular FormulaC21H41NO4
Molecular Weight371.56 g/mol
Exact Mass371.30
IUPAC NameN-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
SMILESCC(=O)C1CCC(NC(=O)CCCOC2CCCCC2)CC1.CC(C)O.[H][H]
InChIInChI=1S/C18H31NO3.C3H8O.H2/c1-14(20)15-9-11-16(12-10-15)19-18(21)8-5-13-22-17-6-3-2-4-7-17;1-3(2)4;/h15-17H,2-13H2,1H3,(H,19,21);3-4H,1-2H3;1H
InChIKeyMUCWVNVBWZTKRS-UHFFFAOYSA-N
XLogP4.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide
CID 177358183
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
CID 177358182
N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
CID 178082611
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 169158273
N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen
CID 167464298
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
1-cyclohexyl-2-methylpropan-1-one;4-cyclohexyloxybutanamide;ethanol;molecular hydrogen
CID 167464133
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
CID 87014178
N,N'-dicyclopropyldecanediamide
CID 4668836

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol?
The IUPAC name of N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol (CID 178082793) is N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol.
What is the SMILES notation for N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol?
The canonical SMILES for N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol is CC(=O)C1CCC(NC(=O)CCCOC2CCCCC2)CC1.CC(C)O.[H][H].
What is the InChIKey of N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol?
The InChIKey is MUCWVNVBWZTKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3.C3H8O.H2/c1-14(20)15-9-11-16(12-10-15)19-18(21)8-5-13-22-17-6-3-2-4-7-17;1-3(2)4;/h15-17H,2-13H2,1H3,(H,19,21);3-4H,1-2H3;1H.
What are the key properties of N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol?
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol has a molecular weight of 371.56 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol is sourced from PubChem (CID 178082793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).