1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide

C24H47NO4 — CID 169159418

IUPAC1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide
SMILESCC.CCC(=O)C1CCCCC1.COCC1CCC(COCCCC(N)=O)CC1
InChIInChI=1S/C13H25NO3.C9H16O.C2H6/c1-16-9-11-4-6-12(7-5-11)10-17-8-2-3-13(14)15;1-2-9(10)8-6-4-3-5-7-8;1-2/h11-12H,2-10H2,1H3,(H2,14,15);8H,2-7H2,1H3;1-2H3
InChIKeyBGAYSEDCTFZGBH-UHFFFAOYSA-N
MW413.64 g/mol
LogP5.29
Rot. Bonds10

About 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide

1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide (PubChem CID 169159418) has the molecular formula C24H47NO4 and a molecular weight of 413.64 g/mol. Its IUPAC name is 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide.

Molecular Properties

Compound Name1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide
PubChem CID169159418
Molecular FormulaC24H47NO4
Molecular Weight413.64 g/mol
Exact Mass413.35
IUPAC Name1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide
SMILESCC.CCC(=O)C1CCCCC1.COCC1CCC(COCCCC(N)=O)CC1
InChIInChI=1S/C13H25NO3.C9H16O.C2H6/c1-16-9-11-4-6-12(7-5-11)10-17-8-2-3-13(14)15;1-2-9(10)8-6-4-3-5-7-8;1-2/h11-12H,2-10H2,1H3,(H2,14,15);8H,2-7H2,1H3;1-2H3
InChIKeyBGAYSEDCTFZGBH-UHFFFAOYSA-N
XLogP5.29
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.64
LogP ≤ 55.29
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 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide?
The IUPAC name of 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide (CID 169159418) is 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide.
What is the SMILES notation for 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide?
The canonical SMILES for 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide is CC.CCC(=O)C1CCCCC1.COCC1CCC(COCCCC(N)=O)CC1.
What is the InChIKey of 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide?
The InChIKey is BGAYSEDCTFZGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3.C9H16O.C2H6/c1-16-9-11-4-6-12(7-5-11)10-17-8-2-3-13(14)15;1-2-9(10)8-6-4-3-5-7-8;1-2/h11-12H,2-10H2,1H3,(H2,14,15);8H,2-7H2,1H3;1-2H3.
What are the key properties of 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide?
1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide has a molecular weight of 413.64 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide is sourced from PubChem (CID 169159418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).