N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen

C23H45NO4 — CID 178082611

IUPACN-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
SMILESCC.CC(=O)C1CCC(NC(=O)CCCOC2CCC(OC(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C21H37NO4.C2H6.H2/c1-15(2)26-20-12-10-19(11-13-20)25-14-4-5-21(24)22-18-8-6-17(7-9-18)16(3)23;1-2;/h15,17-20H,4-14H2,1-3H3,(H,22,24);1-2H3;1H
InChIKeyFQPMICXYNAYTPV-UHFFFAOYSA-N
MW399.62 g/mol
LogP5.06
Rot. Bonds9

About N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen

N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen (PubChem CID 178082611) has the molecular formula C23H45NO4 and a molecular weight of 399.62 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
PubChem CID178082611
Molecular FormulaC23H45NO4
Molecular Weight399.62 g/mol
Exact Mass399.33
IUPAC NameN-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
SMILESCC.CC(=O)C1CCC(NC(=O)CCCOC2CCC(OC(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C21H37NO4.C2H6.H2/c1-15(2)26-20-12-10-19(11-13-20)25-14-4-5-21(24)22-18-8-6-17(7-9-18)16(3)23;1-2;/h15,17-20H,4-14H2,1-3H3,(H,22,24);1-2H3;1H
InChIKeyFQPMICXYNAYTPV-UHFFFAOYSA-N
XLogP5.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen 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

molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 169158273
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
CID 178082793
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
CID 177358182
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide
CID 177358183
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
9-methyl-N-(4-propan-2-yloxycyclohexyl)decanamide
CID 166461461
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
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
ethane;N-[4-(2-methylpropanoyl)cyclohexyl]-4-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]butanamide;molecular hydrogen
CID 169158753
4-(4-acetamidocyclohexyl)oxybutanamide
CID 169159363

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen?
The IUPAC name of N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen (CID 178082611) is N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen.
What is the SMILES notation for N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen?
The canonical SMILES for N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen is CC.CC(=O)C1CCC(NC(=O)CCCOC2CCC(OC(C)C)CC2)CC1.[H][H].
What is the InChIKey of N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen?
The InChIKey is FQPMICXYNAYTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO4.C2H6.H2/c1-15(2)26-20-12-10-19(11-13-20)25-14-4-5-21(24)22-18-8-6-17(7-9-18)16(3)23;1-2;/h15,17-20H,4-14H2,1-3H3,(H,22,24);1-2H3;1H.
What are the key properties of N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen?
N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen has a molecular weight of 399.62 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen is sourced from PubChem (CID 178082611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).