4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide

C27H46N2O3 — CID 70020547

IUPAC4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide
SMILESCCCCCN(C)CCCCCCOC1CCC(NC(=O)c2ccc(COC)cc2)CC1
InChIInChI=1S/C27H46N2O3/c1-4-5-8-19-29(2)20-9-6-7-10-21-32-26-17-15-25(16-18-26)28-27(30)24-13-11-23(12-14-24)22-31-3/h11-14,25-26H,4-10,15-22H2,1-3H3,(H,28,30)
InChIKeyMNRHETDFUQTRIP-UHFFFAOYSA-N
MW446.68 g/mol
LogP5.57
Rot. Bonds16

About 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide

4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide (PubChem CID 70020547) has the molecular formula C27H46N2O3 and a molecular weight of 446.68 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide
PubChem CID70020547
Molecular FormulaC27H46N2O3
Molecular Weight446.68 g/mol
Exact Mass446.35
IUPAC Name4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide
SMILESCCCCCN(C)CCCCCCOC1CCC(NC(=O)c2ccc(COC)cc2)CC1
InChIInChI=1S/C27H46N2O3/c1-4-5-8-19-29(2)20-9-6-7-10-21-32-26-17-15-25(16-18-26)28-27(30)24-13-11-23(12-14-24)22-31-3/h11-14,25-26H,4-10,15-22H2,1-3H3,(H,28,30)
InChIKeyMNRHETDFUQTRIP-UHFFFAOYSA-N
XLogP5.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 55.57
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 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide (CID 70020547) is 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide is CCCCCN(C)CCCCCCOC1CCC(NC(=O)c2ccc(COC)cc2)CC1.
What is the InChIKey of 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide?
The InChIKey is MNRHETDFUQTRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2O3/c1-4-5-8-19-29(2)20-9-6-7-10-21-32-26-17-15-25(16-18-26)28-27(30)24-13-11-23(12-14-24)22-31-3/h11-14,25-26H,4-10,15-22H2,1-3H3,(H,28,30).
What are the key properties of 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide?
4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide has a molecular weight of 446.68 g/mol, XLogP of 5.57, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide is sourced from PubChem (CID 70020547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).