3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen

C20H39NO4 — CID 167464632

IUPAC3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen
SMILESCC(C)C(=O)C1CC(NC(=O)CCOCC2CCCCC2)C1.COC.[H][H]
InChIInChI=1S/C18H31NO3.C2H6O.H2/c1-13(2)18(21)15-10-16(11-15)19-17(20)8-9-22-12-14-6-4-3-5-7-14;1-3-2;/h13-16H,3-12H2,1-2H3,(H,19,20);1-2H3;1H
InChIKeyQKSURJNZKCJRFW-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.60
Rot. Bonds8

About 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen

3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen (PubChem CID 167464632) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen
PubChem CID167464632
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Name3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen
SMILESCC(C)C(=O)C1CC(NC(=O)CCOCC2CCCCC2)C1.COC.[H][H]
InChIInChI=1S/C18H31NO3.C2H6O.H2/c1-13(2)18(21)15-10-16(11-15)19-17(20)8-9-22-12-14-6-4-3-5-7-14;1-3-2;/h13-16H,3-12H2,1-2H3,(H,19,20);1-2H3;1H
InChIKeyQKSURJNZKCJRFW-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.60
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-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen?
The IUPAC name of 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen (CID 167464632) is 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen.
What is the SMILES notation for 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen?
The canonical SMILES for 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen is CC(C)C(=O)C1CC(NC(=O)CCOCC2CCCCC2)C1.COC.[H][H].
What is the InChIKey of 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen?
The InChIKey is QKSURJNZKCJRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3.C2H6O.H2/c1-13(2)18(21)15-10-16(11-15)19-17(20)8-9-22-12-14-6-4-3-5-7-14;1-3-2;/h13-16H,3-12H2,1-2H3,(H,19,20);1-2H3;1H.
What are the key properties of 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen?
3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen has a molecular weight of 357.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen is sourced from PubChem (CID 167464632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).