3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen

C23H43NO4 — CID 169158367

IUPAC3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen
SMILESCCC(C)OCC1CCC(COCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1.[H][H]
InChIInChI=1S/C23H41NO4.H2/c1-5-17(4)28-15-19-8-6-18(7-9-19)14-27-11-10-22(25)24-21-12-20(13-21)23(26)16(2)3;/h16-21H,5-15H2,1-4H3,(H,24,25);1H
InChIKeyFBNKTEKEVJOTJZ-UHFFFAOYSA-N
MW397.60 g/mol
LogP4.38
Rot. Bonds12

About 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen

3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen (PubChem CID 169158367) has the molecular formula C23H43NO4 and a molecular weight of 397.60 g/mol. Its IUPAC name is 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen
PubChem CID169158367
Molecular FormulaC23H43NO4
Molecular Weight397.60 g/mol
Exact Mass397.32
IUPAC Name3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen
SMILESCCC(C)OCC1CCC(COCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1.[H][H]
InChIInChI=1S/C23H41NO4.H2/c1-5-17(4)28-15-19-8-6-18(7-9-19)14-27-11-10-22(25)24-21-12-20(13-21)23(26)16(2)3;/h16-21H,5-15H2,1-4H3,(H,24,25);1H
InChIKeyFBNKTEKEVJOTJZ-UHFFFAOYSA-N
XLogP4.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.60
LogP ≤ 54.38
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 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen?
The IUPAC name of 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen (CID 169158367) is 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen.
What is the SMILES notation for 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen?
The canonical SMILES for 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen is CCC(C)OCC1CCC(COCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1.[H][H].
What is the InChIKey of 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen?
The InChIKey is FBNKTEKEVJOTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO4.H2/c1-5-17(4)28-15-19-8-6-18(7-9-19)14-27-11-10-22(25)24-21-12-20(13-21)23(26)16(2)3;/h16-21H,5-15H2,1-4H3,(H,24,25);1H.
What are the key properties of 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen?
3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen has a molecular weight of 397.60 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen is sourced from PubChem (CID 169158367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).