1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide

C26H46N2O4 — CID 66923965

IUPAC1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide
SMILESCC(C)C[C@@H](N(C(=O)C1(C(N)=O)CCCCC1)[C@H](CC(C)C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C26H46N2O4/c1-18(2)16-20(25(31)12-8-13-25)28(21(17-19(3)4)26(32)14-9-15-26)23(30)24(22(27)29)10-6-5-7-11-24/h18-21,31-32H,5-17H2,1-4H3,(H2,27,29)/t20-,21-/m1/s1
InChIKeyKHVQQQYEJCCESJ-NHCUHLMSSA-N
MW450.66 g/mol
LogP3.91
Rot. Bonds10

About 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide

1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide (PubChem CID 66923965) has the molecular formula C26H46N2O4 and a molecular weight of 450.66 g/mol. Its IUPAC name is 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide
PubChem CID66923965
Molecular FormulaC26H46N2O4
Molecular Weight450.66 g/mol
Exact Mass450.35
IUPAC Name1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide
SMILESCC(C)C[C@@H](N(C(=O)C1(C(N)=O)CCCCC1)[C@H](CC(C)C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C26H46N2O4/c1-18(2)16-20(25(31)12-8-13-25)28(21(17-19(3)4)26(32)14-9-15-26)23(30)24(22(27)29)10-6-5-7-11-24/h18-21,31-32H,5-17H2,1-4H3,(H2,27,29)/t20-,21-/m1/s1
InChIKeyKHVQQQYEJCCESJ-NHCUHLMSSA-N
XLogP3.91
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.66
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide (CID 66923965) is 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide is CC(C)C[C@@H](N(C(=O)C1(C(N)=O)CCCCC1)[C@H](CC(C)C)C1(O)CCC1)C1(O)CCC1.
What is the InChIKey of 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide?
The InChIKey is KHVQQQYEJCCESJ-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H46N2O4/c1-18(2)16-20(25(31)12-8-13-25)28(21(17-19(3)4)26(32)14-9-15-26)23(30)24(22(27)29)10-6-5-7-11-24/h18-21,31-32H,5-17H2,1-4H3,(H2,27,29)/t20-,21-/m1/s1.
What are the key properties of 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide?
1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide has a molecular weight of 450.66 g/mol, XLogP of 3.91, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide is sourced from PubChem (CID 66923965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).