molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide

C21H39NO4 — CID 169158420

IUPACmolecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide
SMILESCCC(=O)C1CC(NC(=O)CCOCC2CCC(COC(C)C)CC2)C1.[H][H]
InChIInChI=1S/C21H37NO4.H2/c1-4-20(23)18-11-19(12-18)22-21(24)9-10-25-13-16-5-7-17(8-6-16)14-26-15(2)3;/h15-19H,4-14H2,1-3H3,(H,22,24);1H
InChIKeyFEBPZWRJFHGSHK-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.74
Rot. Bonds11

About molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide

molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide (PubChem CID 169158420) has the molecular formula C21H39NO4 and a molecular weight of 369.55 g/mol. Its IUPAC name is molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide
PubChem CID169158420
Molecular FormulaC21H39NO4
Molecular Weight369.55 g/mol
Exact Mass369.29
IUPAC Namemolecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide
SMILESCCC(=O)C1CC(NC(=O)CCOCC2CCC(COC(C)C)CC2)C1.[H][H]
InChIInChI=1S/C21H37NO4.H2/c1-4-20(23)18-11-19(12-18)22-21(24)9-10-25-13-16-5-7-17(8-6-16)14-26-15(2)3;/h15-19H,4-14H2,1-3H3,(H,22,24);1H
InChIKeyFEBPZWRJFHGSHK-UHFFFAOYSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
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 molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide?
The IUPAC name of molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide (CID 169158420) is molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide.
What is the SMILES notation for molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide?
The canonical SMILES for molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide is CCC(=O)C1CC(NC(=O)CCOCC2CCC(COC(C)C)CC2)C1.[H][H].
What is the InChIKey of molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide?
The InChIKey is FEBPZWRJFHGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO4.H2/c1-4-20(23)18-11-19(12-18)22-21(24)9-10-25-13-16-5-7-17(8-6-16)14-26-15(2)3;/h15-19H,4-14H2,1-3H3,(H,22,24);1H.
What are the key properties of molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide?
molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide has a molecular weight of 369.55 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide is sourced from PubChem (CID 169158420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).