4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen

C18H35NO4 — CID 167464080

IUPAC4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen
SMILESCCC(=O)C1CC(NC(=O)CCCOC2CCCCC2)C1.CO.[H][H]
InChIInChI=1S/C17H29NO3.CH4O.H2/c1-2-16(19)13-11-14(12-13)18-17(20)9-6-10-21-15-7-4-3-5-8-15;1-2;/h13-15H,2-12H2,1H3,(H,18,20);2H,1H3;1H
InChIKeyXBPYFIFXSHLYEC-UHFFFAOYSA-N
MW329.48 g/mol
LogP2.84
Rot. Bonds8

About 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen

4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen (PubChem CID 167464080) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen.

Molecular Properties

Compound Name4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen
PubChem CID167464080
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen
SMILESCCC(=O)C1CC(NC(=O)CCCOC2CCCCC2)C1.CO.[H][H]
InChIInChI=1S/C17H29NO3.CH4O.H2/c1-2-16(19)13-11-14(12-13)18-17(20)9-6-10-21-15-7-4-3-5-8-15;1-2;/h13-15H,2-12H2,1H3,(H,18,20);2H,1H3;1H
InChIKeyXBPYFIFXSHLYEC-UHFFFAOYSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen?
The IUPAC name of 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen (CID 167464080) is 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen.
What is the SMILES notation for 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen?
The canonical SMILES for 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen is CCC(=O)C1CC(NC(=O)CCCOC2CCCCC2)C1.CO.[H][H].
What is the InChIKey of 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen?
The InChIKey is XBPYFIFXSHLYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3.CH4O.H2/c1-2-16(19)13-11-14(12-13)18-17(20)9-6-10-21-15-7-4-3-5-8-15;1-2;/h13-15H,2-12H2,1H3,(H,18,20);2H,1H3;1H.
What are the key properties of 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen?
4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen has a molecular weight of 329.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen is sourced from PubChem (CID 167464080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).