4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide

C17H29NO3 — CID 167464081

IUPAC4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide
SMILESCCC(=O)C1CC(NC(=O)CCCOC2CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-2-16(19)13-11-14(12-13)18-17(20)9-6-10-21-15-7-4-3-5-8-15/h13-15H,2-12H2,1H3,(H,18,20)
InChIKeyMQKLQSZCCJVCRN-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.99
Rot. Bonds8

About 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide

4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide (PubChem CID 167464081) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide.

Molecular Properties

Compound Name4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide
PubChem CID167464081
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide
SMILESCCC(=O)C1CC(NC(=O)CCCOC2CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-2-16(19)13-11-14(12-13)18-17(20)9-6-10-21-15-7-4-3-5-8-15/h13-15H,2-12H2,1H3,(H,18,20)
InChIKeyMQKLQSZCCJVCRN-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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?
The IUPAC name of 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide (CID 167464081) is 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide.
What is the SMILES notation for 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide?
The canonical SMILES for 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide is CCC(=O)C1CC(NC(=O)CCCOC2CCCCC2)C1.
What is the InChIKey of 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide?
The InChIKey is MQKLQSZCCJVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-16(19)13-11-14(12-13)18-17(20)9-6-10-21-15-7-4-3-5-8-15/h13-15H,2-12H2,1H3,(H,18,20).
What are the key properties of 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide?
4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide has a molecular weight of 295.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide is sourced from PubChem (CID 167464081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).