N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide

C24H43NO4 — CID 134488969

IUPACN-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(C(=O)C12CC(COCCCCOC(C)(C)C)(C1)C2)C1CC(OC(C)(C)C)C1
InChIInChI=1S/C24H43NO4/c1-21(2,3)28-11-9-8-10-27-17-23-14-24(15-23,16-23)20(26)25(7)18-12-19(13-18)29-22(4,5)6/h18-19H,8-17H2,1-7H3
InChIKeyCYOVEHZPLHYDOW-UHFFFAOYSA-N
MW409.61 g/mol
LogP4.57
Rot. Bonds10

About N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide

N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 134488969) has the molecular formula C24H43NO4 and a molecular weight of 409.61 g/mol. Its IUPAC name is N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID134488969
Molecular FormulaC24H43NO4
Molecular Weight409.61 g/mol
Exact Mass409.32
IUPAC NameN-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(C(=O)C12CC(COCCCCOC(C)(C)C)(C1)C2)C1CC(OC(C)(C)C)C1
InChIInChI=1S/C24H43NO4/c1-21(2,3)28-11-9-8-10-27-17-23-14-24(15-23,16-23)20(26)25(7)18-12-19(13-18)29-22(4,5)6/h18-19H,8-17H2,1-7H3
InChIKeyCYOVEHZPLHYDOW-UHFFFAOYSA-N
XLogP4.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.61
LogP ≤ 54.57
H-Bond Donors ≤ 50
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 N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 134488969) is N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide is CN(C(=O)C12CC(COCCCCOC(C)(C)C)(C1)C2)C1CC(OC(C)(C)C)C1.
What is the InChIKey of N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is CYOVEHZPLHYDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO4/c1-21(2,3)28-11-9-8-10-27-17-23-14-24(15-23,16-23)20(26)25(7)18-12-19(13-18)29-22(4,5)6/h18-19H,8-17H2,1-7H3.
What are the key properties of N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide?
N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 409.61 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 134488969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).